N-[(2S)-1-aminopropan-2-yl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentane-1-carboxamide

C14H24N4O4S — CID 120505759

IUPACN-[(2S)-1-aminopropan-2-yl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentane-1-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)NC1(C(=O)N[C@@H](C)CN)CCCC1
InChIInChI=1S/C14H24N4O4S/c1-9(8-15)16-13(19)14(6-4-5-7-14)18-23(20,21)12-10(2)17-22-11(12)3/h9,18H,4-8,15H2,1-3H3,(H,16,19)/t9-/m0/s1
InChIKeyPXAROUBBGPPWOT-VIFPVBQESA-N
MW344.44 g/mol
LogP0.35
Rot. Bonds6

About N-[(2S)-1-aminopropan-2-yl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentane-1-carboxamide

N-[(2S)-1-aminopropan-2-yl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentane-1-carboxamide (PubChem CID 120505759) has the molecular formula C14H24N4O4S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentane-1-carboxamide
PubChem CID120505759
Molecular FormulaC14H24N4O4S
Molecular Weight344.44 g/mol
Exact Mass344.15
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentane-1-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)NC1(C(=O)N[C@@H](C)CN)CCCC1
InChIInChI=1S/C14H24N4O4S/c1-9(8-15)16-13(19)14(6-4-5-7-14)18-23(20,21)12-10(2)17-22-11(12)3/h9,18H,4-8,15H2,1-3H3,(H,16,19)/t9-/m0/s1
InChIKeyPXAROUBBGPPWOT-VIFPVBQESA-N
XLogP0.35
TPSA127.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentanecarbonyl]amino]butanoic acid
CID 119220960
2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentanecarbonyl]amino]butanoic acid
CID 119223574
ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentane-1-carboxylate
CID 47071939
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 120651592
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(ethylamino)ethyl]cyclopentane-1-carboxamide
CID 119505712
2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentanecarbonyl]-methylamino]propanoic acid
CID 119358864
N-[(2R)-1-aminopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 104873362
N-[1-(aminomethyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119980726
N-[1-(aminomethyl)cyclopentyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
CID 119565976
N-[1-(aminomethyl)-2-methylcyclohexyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 120607149
N-(1-cyanocyclohexyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 60660895
N-[(2R)-1-hydroxypropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 79027700

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentane-1-carboxamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentane-1-carboxamide (CID 120505759) is N-[(2S)-1-aminopropan-2-yl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentane-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentane-1-carboxamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentane-1-carboxamide is Cc1noc(C)c1S(=O)(=O)NC1(C(=O)N[C@@H](C)CN)CCCC1.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentane-1-carboxamide?
The InChIKey is PXAROUBBGPPWOT-VIFPVBQESA-N. The full InChI is InChI=1S/C14H24N4O4S/c1-9(8-15)16-13(19)14(6-4-5-7-14)18-23(20,21)12-10(2)17-22-11(12)3/h9,18H,4-8,15H2,1-3H3,(H,16,19)/t9-/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentane-1-carboxamide?
N-[(2S)-1-aminopropan-2-yl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentane-1-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 0.35, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentane-1-carboxamide is sourced from PubChem (CID 120505759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).