N-[(1R,3R)-3-aminocyclopentyl]-1,1-dioxothiane-4-carboxamide

C11H20N2O3S — CID 56742780

IUPACN-[(1R,3R)-3-aminocyclopentyl]-1,1-dioxothiane-4-carboxamide
SMILESN[C@@H]1CC[C@@H](NC(=O)C2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C11H20N2O3S/c12-9-1-2-10(7-9)13-11(14)8-3-5-17(15,16)6-4-8/h8-10H,1-7,12H2,(H,13,14)/t9-,10-/m1/s1
InChIKeyUZDWOMRNMVMCLT-NXEZZACHSA-N
MW260.36 g/mol
LogP-0.19
Rot. Bonds2

About N-[(1R,3R)-3-aminocyclopentyl]-1,1-dioxothiane-4-carboxamide

N-[(1R,3R)-3-aminocyclopentyl]-1,1-dioxothiane-4-carboxamide (PubChem CID 56742780) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-[(1R,3R)-3-aminocyclopentyl]-1,1-dioxothiane-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,3R)-3-aminocyclopentyl]-1,1-dioxothiane-4-carboxamide
PubChem CID56742780
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC NameN-[(1R,3R)-3-aminocyclopentyl]-1,1-dioxothiane-4-carboxamide
SMILESN[C@@H]1CC[C@@H](NC(=O)C2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C11H20N2O3S/c12-9-1-2-10(7-9)13-11(14)8-3-5-17(15,16)6-4-8/h8-10H,1-7,12H2,(H,13,14)/t9-,10-/m1/s1
InChIKeyUZDWOMRNMVMCLT-NXEZZACHSA-N
XLogP-0.19
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(1,1-dioxothian-4-yl)cyclopentane-1-carboxamide
CID 66032491
4-amino-N-cyclopropylcyclohexane-1-carboxamide;hydrochloride
CID 66868284
3-[(1,1-dioxothiolane-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66032305
(3-aminocyclopentyl)carbamic acid
CID 69243227
[(1S,3R)-3-aminocyclopentyl]carbamic acid
CID 67513100
[(3R)-3-aminocyclopentyl]carbamic acid
CID 68775558
N-(3-aminocyclobutyl)cyclooctanecarboxamide
CID 65023112
4-[(3-aminocyclopentanecarbonyl)amino]cyclohexane-1-carboxamide
CID 66032881
N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,1-dioxothiane-4-carboxamide
CID 75407298
methyl 3-[(3-aminocyclopentanecarbonyl)amino]cyclopentane-1-carboxylate
CID 169045886
N-(4-aminocyclohexyl)cycloheptanecarboxamide;hydrochloride
CID 119478130
3-amino-N-cyclopropylcyclohexane-1-carboxamide
CID 18071393

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R)-3-aminocyclopentyl]-1,1-dioxothiane-4-carboxamide?
The IUPAC name of N-[(1R,3R)-3-aminocyclopentyl]-1,1-dioxothiane-4-carboxamide (CID 56742780) is N-[(1R,3R)-3-aminocyclopentyl]-1,1-dioxothiane-4-carboxamide.
What is the SMILES notation for N-[(1R,3R)-3-aminocyclopentyl]-1,1-dioxothiane-4-carboxamide?
The canonical SMILES for N-[(1R,3R)-3-aminocyclopentyl]-1,1-dioxothiane-4-carboxamide is N[C@@H]1CC[C@@H](NC(=O)C2CCS(=O)(=O)CC2)C1.
What is the InChIKey of N-[(1R,3R)-3-aminocyclopentyl]-1,1-dioxothiane-4-carboxamide?
The InChIKey is UZDWOMRNMVMCLT-NXEZZACHSA-N. The full InChI is InChI=1S/C11H20N2O3S/c12-9-1-2-10(7-9)13-11(14)8-3-5-17(15,16)6-4-8/h8-10H,1-7,12H2,(H,13,14)/t9-,10-/m1/s1.
What are the key properties of N-[(1R,3R)-3-aminocyclopentyl]-1,1-dioxothiane-4-carboxamide?
N-[(1R,3R)-3-aminocyclopentyl]-1,1-dioxothiane-4-carboxamide has a molecular weight of 260.36 g/mol, XLogP of -0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R)-3-aminocyclopentyl]-1,1-dioxothiane-4-carboxamide is sourced from PubChem (CID 56742780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).