N-[(1,1-dioxothiolan-2-yl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine

C14H26N2O2S — CID 81039559

IUPACN-[(1,1-dioxothiolan-2-yl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine
SMILESO=S1(=O)CCCC1CNC1CCCC1C1CCCN1
InChIInChI=1S/C14H26N2O2S/c17-19(18)9-3-4-11(19)10-16-14-6-1-5-12(14)13-7-2-8-15-13/h11-16H,1-10H2
InChIKeyKMTWJDJAYYEWTA-UHFFFAOYSA-N
MW286.44 g/mol
LogP1.07
Rot. Bonds4

About N-[(1,1-dioxothiolan-2-yl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine

N-[(1,1-dioxothiolan-2-yl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine (PubChem CID 81039559) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-2-yl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-2-yl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine
PubChem CID81039559
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC NameN-[(1,1-dioxothiolan-2-yl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine
SMILESO=S1(=O)CCCC1CNC1CCCC1C1CCCN1
InChIInChI=1S/C14H26N2O2S/c17-19(18)9-3-4-11(19)10-16-14-6-1-5-12(14)13-7-2-8-15-13/h11-16H,1-10H2
InChIKeyKMTWJDJAYYEWTA-UHFFFAOYSA-N
XLogP1.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1,1-dioxothiolan-2-yl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine with MolForge

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Related Compounds

N-(cyclobutylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 79543505
N-(cyclobutylmethyl)-2-piperidin-2-ylcyclopentan-1-amine
CID 79545811
N-(1,4-dioxan-2-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 79543757
N-(oxolan-3-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 79543754
N-(oxan-2-ylmethyl)-2-piperidin-2-ylcyclopentan-1-amine
CID 79544731
N-(1,4-dioxan-2-ylmethyl)-2-piperidin-2-ylcyclopentan-1-amine
CID 79544945
N-(cyclohex-3-en-1-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 79544217
N-[(2-methylcyclopentyl)methyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 107416966
N-[(4-ethylcyclohexyl)methyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 79538663
N'-(2-pyrrolidin-2-ylcyclopentyl)butane-1,4-diamine
CID 79543435
2-[(2-piperidin-2-ylcyclohexyl)amino]acetamide
CID 79553168
1,1-dioxo-N-(2-piperidin-2-ylcyclopentyl)thiolan-3-amine
CID 79545123

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-2-yl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine?
The IUPAC name of N-[(1,1-dioxothiolan-2-yl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine (CID 81039559) is N-[(1,1-dioxothiolan-2-yl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine.
What is the SMILES notation for N-[(1,1-dioxothiolan-2-yl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine?
The canonical SMILES for N-[(1,1-dioxothiolan-2-yl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine is O=S1(=O)CCCC1CNC1CCCC1C1CCCN1.
What is the InChIKey of N-[(1,1-dioxothiolan-2-yl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine?
The InChIKey is KMTWJDJAYYEWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c17-19(18)9-3-4-11(19)10-16-14-6-1-5-12(14)13-7-2-8-15-13/h11-16H,1-10H2.
What are the key properties of N-[(1,1-dioxothiolan-2-yl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine?
N-[(1,1-dioxothiolan-2-yl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine has a molecular weight of 286.44 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-2-yl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine is sourced from PubChem (CID 81039559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).