N-[[3-(cyclopentylmethyl)-1,1-dioxothiolan-3-yl]methyl]cyclopropanamine

C14H25NO2S — CID 55106980

IUPACN-[[3-(cyclopentylmethyl)-1,1-dioxothiolan-3-yl]methyl]cyclopropanamine
SMILESO=S1(=O)CCC(CNC2CC2)(CC2CCCC2)C1
InChIInChI=1S/C14H25NO2S/c16-18(17)8-7-14(11-18,10-15-13-5-6-13)9-12-3-1-2-4-12/h12-13,15H,1-11H2
InChIKeyNIFMDQPQRKUXBX-UHFFFAOYSA-N
MW271.43 g/mol
LogP2.12
Rot. Bonds5

About N-[[3-(cyclopentylmethyl)-1,1-dioxothiolan-3-yl]methyl]cyclopropanamine

N-[[3-(cyclopentylmethyl)-1,1-dioxothiolan-3-yl]methyl]cyclopropanamine (PubChem CID 55106980) has the molecular formula C14H25NO2S and a molecular weight of 271.43 g/mol. Its IUPAC name is N-[[3-(cyclopentylmethyl)-1,1-dioxothiolan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(cyclopentylmethyl)-1,1-dioxothiolan-3-yl]methyl]cyclopropanamine
PubChem CID55106980
Molecular FormulaC14H25NO2S
Molecular Weight271.43 g/mol
Exact Mass271.16
IUPAC NameN-[[3-(cyclopentylmethyl)-1,1-dioxothiolan-3-yl]methyl]cyclopropanamine
SMILESO=S1(=O)CCC(CNC2CC2)(CC2CCCC2)C1
InChIInChI=1S/C14H25NO2S/c16-18(17)8-7-14(11-18,10-15-13-5-6-13)9-12-3-1-2-4-12/h12-13,15H,1-11H2
InChIKeyNIFMDQPQRKUXBX-UHFFFAOYSA-N
XLogP2.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(cyclopentylmethyl)-1,1-dioxothiolan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(cyclopentylmethyl)-1,1-dioxothiolan-3-yl]methyl]cyclopropanamine (CID 55106980) is N-[[3-(cyclopentylmethyl)-1,1-dioxothiolan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(cyclopentylmethyl)-1,1-dioxothiolan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(cyclopentylmethyl)-1,1-dioxothiolan-3-yl]methyl]cyclopropanamine is O=S1(=O)CCC(CNC2CC2)(CC2CCCC2)C1.
What is the InChIKey of N-[[3-(cyclopentylmethyl)-1,1-dioxothiolan-3-yl]methyl]cyclopropanamine?
The InChIKey is NIFMDQPQRKUXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2S/c16-18(17)8-7-14(11-18,10-15-13-5-6-13)9-12-3-1-2-4-12/h12-13,15H,1-11H2.
What are the key properties of N-[[3-(cyclopentylmethyl)-1,1-dioxothiolan-3-yl]methyl]cyclopropanamine?
N-[[3-(cyclopentylmethyl)-1,1-dioxothiolan-3-yl]methyl]cyclopropanamine has a molecular weight of 271.43 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(cyclopentylmethyl)-1,1-dioxothiolan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 55106980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).