N-[(3S)-3-[(1-methylsulfonylcyclopentanecarbonyl)amino]butyl]oxane-4-carboxamide

C17H30N2O5S — CID 138048746

IUPACN-[(3S)-3-[(1-methylsulfonylcyclopentanecarbonyl)amino]butyl]oxane-4-carboxamide
SMILESC[C@@H](CCNC(=O)C1CCOCC1)NC(=O)C1(S(C)(=O)=O)CCCC1
InChIInChI=1S/C17H30N2O5S/c1-13(5-10-18-15(20)14-6-11-24-12-7-14)19-16(21)17(25(2,22)23)8-3-4-9-17/h13-14H,3-12H2,1-2H3,(H,18,20)(H,19,21)/t13-/m0/s1
InChIKeyWCFXBZDWJNSXGD-ZDUSSCGKSA-N
MW374.50 g/mol
LogP0.78
Rot. Bonds7

About N-[(3S)-3-[(1-methylsulfonylcyclopentanecarbonyl)amino]butyl]oxane-4-carboxamide

N-[(3S)-3-[(1-methylsulfonylcyclopentanecarbonyl)amino]butyl]oxane-4-carboxamide (PubChem CID 138048746) has the molecular formula C17H30N2O5S and a molecular weight of 374.50 g/mol. Its IUPAC name is N-[(3S)-3-[(1-methylsulfonylcyclopentanecarbonyl)amino]butyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(3S)-3-[(1-methylsulfonylcyclopentanecarbonyl)amino]butyl]oxane-4-carboxamide
PubChem CID138048746
Molecular FormulaC17H30N2O5S
Molecular Weight374.50 g/mol
Exact Mass374.19
IUPAC NameN-[(3S)-3-[(1-methylsulfonylcyclopentanecarbonyl)amino]butyl]oxane-4-carboxamide
SMILESC[C@@H](CCNC(=O)C1CCOCC1)NC(=O)C1(S(C)(=O)=O)CCCC1
InChIInChI=1S/C17H30N2O5S/c1-13(5-10-18-15(20)14-6-11-24-12-7-14)19-16(21)17(25(2,22)23)8-3-4-9-17/h13-14H,3-12H2,1-2H3,(H,18,20)(H,19,21)/t13-/m0/s1
InChIKeyWCFXBZDWJNSXGD-ZDUSSCGKSA-N
XLogP0.78
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.50
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3S)-3-[(1-methylsulfonylcyclopentanecarbonyl)amino]butyl]oxane-4-carboxamide with MolForge

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Related Compounds

N-(3-methylbutyl)oxane-4-carboxamide
CID 51110017
N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]oxane-4-carboxamide
CID 113065636
N-[2-oxo-2-(propan-2-ylamino)ethyl]oxane-4-carboxamide
CID 51220547
(2S)-2-[(1-methylsulfonylcyclopentanecarbonyl)amino]propanoic acid
CID 119238407
N-(4-chlorobutan-2-yl)oxane-4-carboxamide
CID 83180658
2-(oxane-4-carbonylamino)ethanesulfonyl fluoride
CID 154772944
N-(4-aminobutan-2-yl)oxane-4-carboxamide
CID 62905815
N-(3-bromobutyl)oxolane-3-carboxamide
CID 114312616
N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]oxane-4-carboxamide
CID 113068065
N-(1-chloropropan-2-yl)oxane-4-carboxamide
CID 114299496
N-(2-aminopropyl)oxane-4-carboxamide
CID 15035314
N-(3-amino-3-phenylpropyl)oxane-4-carboxamide
CID 80506614

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-[(1-methylsulfonylcyclopentanecarbonyl)amino]butyl]oxane-4-carboxamide?
The IUPAC name of N-[(3S)-3-[(1-methylsulfonylcyclopentanecarbonyl)amino]butyl]oxane-4-carboxamide (CID 138048746) is N-[(3S)-3-[(1-methylsulfonylcyclopentanecarbonyl)amino]butyl]oxane-4-carboxamide.
What is the SMILES notation for N-[(3S)-3-[(1-methylsulfonylcyclopentanecarbonyl)amino]butyl]oxane-4-carboxamide?
The canonical SMILES for N-[(3S)-3-[(1-methylsulfonylcyclopentanecarbonyl)amino]butyl]oxane-4-carboxamide is C[C@@H](CCNC(=O)C1CCOCC1)NC(=O)C1(S(C)(=O)=O)CCCC1.
What is the InChIKey of N-[(3S)-3-[(1-methylsulfonylcyclopentanecarbonyl)amino]butyl]oxane-4-carboxamide?
The InChIKey is WCFXBZDWJNSXGD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H30N2O5S/c1-13(5-10-18-15(20)14-6-11-24-12-7-14)19-16(21)17(25(2,22)23)8-3-4-9-17/h13-14H,3-12H2,1-2H3,(H,18,20)(H,19,21)/t13-/m0/s1.
What are the key properties of N-[(3S)-3-[(1-methylsulfonylcyclopentanecarbonyl)amino]butyl]oxane-4-carboxamide?
N-[(3S)-3-[(1-methylsulfonylcyclopentanecarbonyl)amino]butyl]oxane-4-carboxamide has a molecular weight of 374.50 g/mol, XLogP of 0.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-[(1-methylsulfonylcyclopentanecarbonyl)amino]butyl]oxane-4-carboxamide is sourced from PubChem (CID 138048746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).