2-amino-N-(thiolan-3-ylmethyl)cyclopentane-1-carboxamide

C11H20N2OS — CID 107295904

IUPAC2-amino-N-(thiolan-3-ylmethyl)cyclopentane-1-carboxamide
SMILESNC1CCCC1C(=O)NCC1CCSC1
InChIInChI=1S/C11H20N2OS/c12-10-3-1-2-9(10)11(14)13-6-8-4-5-15-7-8/h8-10H,1-7,12H2,(H,13,14)
InChIKeyRZXNOMQHNPEWOG-UHFFFAOYSA-N
MW228.36 g/mol
LogP0.98
Rot. Bonds3

About 2-amino-N-(thiolan-3-ylmethyl)cyclopentane-1-carboxamide

2-amino-N-(thiolan-3-ylmethyl)cyclopentane-1-carboxamide (PubChem CID 107295904) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 2-amino-N-(thiolan-3-ylmethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(thiolan-3-ylmethyl)cyclopentane-1-carboxamide
PubChem CID107295904
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name2-amino-N-(thiolan-3-ylmethyl)cyclopentane-1-carboxamide
SMILESNC1CCCC1C(=O)NCC1CCSC1
InChIInChI=1S/C11H20N2OS/c12-10-3-1-2-9(10)11(14)13-6-8-4-5-15-7-8/h8-10H,1-7,12H2,(H,13,14)
InChIKeyRZXNOMQHNPEWOG-UHFFFAOYSA-N
XLogP0.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide
CID 107295988
2-amino-N-(cyclopentylmethyl)cyclopentane-1-carboxamide
CID 64822133
2-amino-N-(cyclohexylmethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119672519
2-amino-N-(thiolan-2-ylmethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119790659
2-amino-N-[(4-methylcyclohexyl)methyl]cyclohexane-1-carboxamide
CID 63247870
4-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide
CID 107295920
2-amino-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide
CID 62825271
2-amino-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide
CID 62776858
1-amino-N-(thiolan-3-ylmethyl)cyclopropane-1-carboxamide
CID 107296095
(2S)-N-(thiolan-3-ylmethyl)piperidine-2-carboxamide
CID 107296038
3-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylcyclohexane-1-carboxamide
CID 62783548
2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide
CID 64824736

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(thiolan-3-ylmethyl)cyclopentane-1-carboxamide?
The IUPAC name of 2-amino-N-(thiolan-3-ylmethyl)cyclopentane-1-carboxamide (CID 107295904) is 2-amino-N-(thiolan-3-ylmethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(thiolan-3-ylmethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-N-(thiolan-3-ylmethyl)cyclopentane-1-carboxamide is NC1CCCC1C(=O)NCC1CCSC1.
What is the InChIKey of 2-amino-N-(thiolan-3-ylmethyl)cyclopentane-1-carboxamide?
The InChIKey is RZXNOMQHNPEWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c12-10-3-1-2-9(10)11(14)13-6-8-4-5-15-7-8/h8-10H,1-7,12H2,(H,13,14).
What are the key properties of 2-amino-N-(thiolan-3-ylmethyl)cyclopentane-1-carboxamide?
2-amino-N-(thiolan-3-ylmethyl)cyclopentane-1-carboxamide has a molecular weight of 228.36 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(thiolan-3-ylmethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 107295904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).