2-[1-[(2-amino-2-methylpropyl)sulfanylmethyl]cyclopropyl]acetonitrile

C10H18N2S — CID 66220994

IUPAC2-[1-[(2-amino-2-methylpropyl)sulfanylmethyl]cyclopropyl]acetonitrile
SMILESCC(C)(N)CSCC1(CC#N)CC1
InChIInChI=1S/C10H18N2S/c1-9(2,12)7-13-8-10(3-4-10)5-6-11/h3-5,7-8,12H2,1-2H3
InChIKeyBNMRVQFWAZOKGB-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.15
Rot. Bonds5

About 2-[1-[(2-amino-2-methylpropyl)sulfanylmethyl]cyclopropyl]acetonitrile

2-[1-[(2-amino-2-methylpropyl)sulfanylmethyl]cyclopropyl]acetonitrile (PubChem CID 66220994) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 2-[1-[(2-amino-2-methylpropyl)sulfanylmethyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[(2-amino-2-methylpropyl)sulfanylmethyl]cyclopropyl]acetonitrile
PubChem CID66220994
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name2-[1-[(2-amino-2-methylpropyl)sulfanylmethyl]cyclopropyl]acetonitrile
SMILESCC(C)(N)CSCC1(CC#N)CC1
InChIInChI=1S/C10H18N2S/c1-9(2,12)7-13-8-10(3-4-10)5-6-11/h3-5,7-8,12H2,1-2H3
InChIKeyBNMRVQFWAZOKGB-UHFFFAOYSA-N
XLogP2.15
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-[(2-amino-2-methylpropyl)sulfanylmethyl]cyclopropyl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-amino-2-methylpropyl)sulfanylmethyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[(2-amino-2-methylpropyl)sulfanylmethyl]cyclopropyl]acetonitrile (CID 66220994) is 2-[1-[(2-amino-2-methylpropyl)sulfanylmethyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[(2-amino-2-methylpropyl)sulfanylmethyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[(2-amino-2-methylpropyl)sulfanylmethyl]cyclopropyl]acetonitrile is CC(C)(N)CSCC1(CC#N)CC1.
What is the InChIKey of 2-[1-[(2-amino-2-methylpropyl)sulfanylmethyl]cyclopropyl]acetonitrile?
The InChIKey is BNMRVQFWAZOKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-9(2,12)7-13-8-10(3-4-10)5-6-11/h3-5,7-8,12H2,1-2H3.
What are the key properties of 2-[1-[(2-amino-2-methylpropyl)sulfanylmethyl]cyclopropyl]acetonitrile?
2-[1-[(2-amino-2-methylpropyl)sulfanylmethyl]cyclopropyl]acetonitrile has a molecular weight of 198.33 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-amino-2-methylpropyl)sulfanylmethyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 66220994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).