(3R)-N-cyclopentyl-1,1-dioxothiolan-3-amine

C9H17NO2S — CID 7129043

IUPAC(3R)-N-cyclopentyl-1,1-dioxothiolan-3-amine
SMILESO=S1(=O)CC[C@@H](NC2CCCC2)C1
InChIInChI=1S/C9H17NO2S/c11-13(12)6-5-9(7-13)10-8-3-1-2-4-8/h8-10H,1-7H2/t9-/m1/s1
InChIKeyBHRLZTFOPZEOCL-SECBINFHSA-N
MW203.31 g/mol
LogP0.71
Rot. Bonds2

About (3R)-N-cyclopentyl-1,1-dioxothiolan-3-amine

(3R)-N-cyclopentyl-1,1-dioxothiolan-3-amine (PubChem CID 7129043) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is (3R)-N-cyclopentyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound Name(3R)-N-cyclopentyl-1,1-dioxothiolan-3-amine
PubChem CID7129043
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name(3R)-N-cyclopentyl-1,1-dioxothiolan-3-amine
SMILESO=S1(=O)CC[C@@H](NC2CCCC2)C1
InChIInChI=1S/C9H17NO2S/c11-13(12)6-5-9(7-13)10-8-3-1-2-4-8/h8-10H,1-7H2/t9-/m1/s1
InChIKeyBHRLZTFOPZEOCL-SECBINFHSA-N
XLogP0.71
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclododecyl-1,1-dioxothian-4-amine
CID 43614936
N-(1,1-dioxothiolan-3-yl)oxepan-4-amine
CID 65076764
N-cyclohexyl-4-[(1,1-dioxothiolan-3-yl)amino]piperidine-1-carboxamide
CID 86786884
1-cyclopropyl-N-(1,1-dioxothiolan-3-yl)piperidin-4-amine
CID 63162610
N-(2-methylcyclohexyl)-1,1-dioxothiolan-3-amine
CID 16784113
1,1-dioxo-N-[4-(trifluoromethyl)cyclohexyl]thian-3-amine
CID 63923212
[2-[(1,1-dioxothiolan-3-yl)amino]cyclohexyl]methanol
CID 104866380
N-(2-methoxycyclohexyl)-1,1-dioxothiolan-3-amine
CID 43757116
N-(1,1-dioxothian-3-yl)oxan-3-amine
CID 63923831
2-[(1,1-dioxothiolan-3-yl)amino]cycloheptane-1-carbonitrile
CID 62743497
N-(1,1-dioxothiolan-3-yl)-1-(2-methylpropyl)piperidin-4-amine
CID 103718870
(1,1-dioxothiolan-3-yl)hydrazine;hydrochloride
CID 2770116

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclopentyl-1,1-dioxothiolan-3-amine?
The IUPAC name of (3R)-N-cyclopentyl-1,1-dioxothiolan-3-amine (CID 7129043) is (3R)-N-cyclopentyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for (3R)-N-cyclopentyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for (3R)-N-cyclopentyl-1,1-dioxothiolan-3-amine is O=S1(=O)CC[C@@H](NC2CCCC2)C1.
What is the InChIKey of (3R)-N-cyclopentyl-1,1-dioxothiolan-3-amine?
The InChIKey is BHRLZTFOPZEOCL-SECBINFHSA-N. The full InChI is InChI=1S/C9H17NO2S/c11-13(12)6-5-9(7-13)10-8-3-1-2-4-8/h8-10H,1-7H2/t9-/m1/s1.
What are the key properties of (3R)-N-cyclopentyl-1,1-dioxothiolan-3-amine?
(3R)-N-cyclopentyl-1,1-dioxothiolan-3-amine has a molecular weight of 203.31 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclopentyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 7129043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).