3-amino-N-(1,1-dioxothian-4-yl)cyclopentane-1-carboxamide

C11H20N2O3S — CID 66032491

IUPAC3-amino-N-(1,1-dioxothian-4-yl)cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)NC2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C11H20N2O3S/c12-9-2-1-8(7-9)11(14)13-10-3-5-17(15,16)6-4-10/h8-10H,1-7,12H2,(H,13,14)
InChIKeyNPOOPSFVUAVRMN-UHFFFAOYSA-N
MW260.36 g/mol
LogP-0.19
Rot. Bonds2

About 3-amino-N-(1,1-dioxothian-4-yl)cyclopentane-1-carboxamide

3-amino-N-(1,1-dioxothian-4-yl)cyclopentane-1-carboxamide (PubChem CID 66032491) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 3-amino-N-(1,1-dioxothian-4-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1,1-dioxothian-4-yl)cyclopentane-1-carboxamide
PubChem CID66032491
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name3-amino-N-(1,1-dioxothian-4-yl)cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)NC2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C11H20N2O3S/c12-9-2-1-8(7-9)11(14)13-10-3-5-17(15,16)6-4-10/h8-10H,1-7,12H2,(H,13,14)
InChIKeyNPOOPSFVUAVRMN-UHFFFAOYSA-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

N-[(1R,3R)-3-aminocyclopentyl]-1,1-dioxothiane-4-carboxamide
CID 56742780
4-[(3-aminocyclopentanecarbonyl)amino]cyclohexane-1-carboxamide
CID 66032881
3-amino-N-(thian-4-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119765678
3-amino-N-cyclopropylcyclohexane-1-carboxamide
CID 18071393
3-amino-N-(1-methylpyrrolidin-3-yl)cyclopentane-1-carboxamide
CID 66007963
3-amino-N-(4-propan-2-ylcyclohexyl)cyclopentane-1-carboxamide;hydrochloride
CID 119812000
3-amino-N-pyrrolidin-3-ylcyclopentane-1-carboxamide
CID 130840799
3-amino-N-(1,1-dioxothian-3-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119784472
4-amino-N-cyclopropylcyclohexane-1-carboxamide;hydrochloride
CID 66868284
methyl 3-[(3-aminocyclopentanecarbonyl)amino]cyclopentane-1-carboxylate
CID 169045886
3-amino-N-(4-carbamoylcyclohexyl)cyclohexane-1-carboxamide
CID 63043224
3-amino-N-pyrrolidin-3-ylcyclopentane-1-carboxamide;hydrochloride
CID 130840798

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,1-dioxothian-4-yl)cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-(1,1-dioxothian-4-yl)cyclopentane-1-carboxamide (CID 66032491) is 3-amino-N-(1,1-dioxothian-4-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(1,1-dioxothian-4-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-(1,1-dioxothian-4-yl)cyclopentane-1-carboxamide is NC1CCC(C(=O)NC2CCS(=O)(=O)CC2)C1.
What is the InChIKey of 3-amino-N-(1,1-dioxothian-4-yl)cyclopentane-1-carboxamide?
The InChIKey is NPOOPSFVUAVRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c12-9-2-1-8(7-9)11(14)13-10-3-5-17(15,16)6-4-10/h8-10H,1-7,12H2,(H,13,14).
What are the key properties of 3-amino-N-(1,1-dioxothian-4-yl)cyclopentane-1-carboxamide?
3-amino-N-(1,1-dioxothian-4-yl)cyclopentane-1-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 3-amino-N-(1,1-dioxothian-4-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 66032491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).