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

C11H20N2O3S — CID 54925385

IUPAC1-amino-N-(1,1-dioxothian-4-yl)cyclopentane-1-carboxamide
SMILESNC1(C(=O)NC2CCS(=O)(=O)CC2)CCCC1
InChIInChI=1S/C11H20N2O3S/c12-11(5-1-2-6-11)10(14)13-9-3-7-17(15,16)8-4-9/h9H,1-8,12H2,(H,13,14)
InChIKeyLMBZVWJOUFQGMQ-UHFFFAOYSA-N
MW260.36 g/mol
LogP-0.05
Rot. Bonds2

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

1-amino-N-(1,1-dioxothian-4-yl)cyclopentane-1-carboxamide (PubChem CID 54925385) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-amino-N-(1,1-dioxothian-4-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(1,1-dioxothian-4-yl)cyclopentane-1-carboxamide
PubChem CID54925385
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name1-amino-N-(1,1-dioxothian-4-yl)cyclopentane-1-carboxamide
SMILESNC1(C(=O)NC2CCS(=O)(=O)CC2)CCCC1
InChIInChI=1S/C11H20N2O3S/c12-11(5-1-2-6-11)10(14)13-9-3-7-17(15,16)8-4-9/h9H,1-8,12H2,(H,13,14)
InChIKeyLMBZVWJOUFQGMQ-UHFFFAOYSA-N
XLogP-0.05
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 ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-(4-carbamoylcyclohexyl)cyclohexane-1-carboxamide
CID 43698376
1-amino-N-(4-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide
CID 119339856
1-amino-N-(4-propan-2-ylcyclohexyl)cyclopentane-1-carboxamide;hydrochloride
CID 119339847
2-(1-aminocyclobutyl)-N-(1,1-dioxothian-4-yl)acetamide
CID 79851189
1-amino-N-(4-aminocyclohexyl)cyclopropane-1-carboxamide
CID 65466451
1-amino-N-(1-cyclopropylpyrrolidin-3-yl)cyclohexane-1-carboxamide;dihydrochloride
CID 119864838
1-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119278564
2-[(1,1-dioxothian-4-yl)carbamoyl]spiro[3.3]heptane-2-carboxylic acid
CID 166242815
1-amino-N-[4-(trifluoromethyl)cyclohexyl]cyclobutane-1-carboxamide
CID 81178897
1-amino-N-(oxetan-3-yl)cyclobutane-1-carboxamide
CID 81168637
ethyl 4-[(1-aminocyclopentanecarbonyl)amino]cyclohexane-1-carboxylate
CID 60945314
1-cyclopropyl-3-(1,1-dioxothian-4-yl)urea
CID 115673028

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(1,1-dioxothian-4-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-(1,1-dioxothian-4-yl)cyclopentane-1-carboxamide (CID 54925385) is 1-amino-N-(1,1-dioxothian-4-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(1,1-dioxothian-4-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-(1,1-dioxothian-4-yl)cyclopentane-1-carboxamide is NC1(C(=O)NC2CCS(=O)(=O)CC2)CCCC1.
What is the InChIKey of 1-amino-N-(1,1-dioxothian-4-yl)cyclopentane-1-carboxamide?
The InChIKey is LMBZVWJOUFQGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c12-11(5-1-2-6-11)10(14)13-9-3-7-17(15,16)8-4-9/h9H,1-8,12H2,(H,13,14).
What are the key properties of 1-amino-N-(1,1-dioxothian-4-yl)cyclopentane-1-carboxamide?
1-amino-N-(1,1-dioxothian-4-yl)cyclopentane-1-carboxamide has a molecular weight of 260.36 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(1,1-dioxothian-4-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 54925385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).