N-(2-cyclopropylsulfanylethyl)pyrrolidin-3-amine

C9H18N2S — CID 84660689

IUPACN-(2-cyclopropylsulfanylethyl)pyrrolidin-3-amine
SMILESC1CC(NCCSC2CC2)CN1
InChIInChI=1S/C9H18N2S/c1-2-9(1)12-6-5-11-8-3-4-10-7-8/h8-11H,1-7H2
InChIKeyOXLJPRUOSKMMIS-UHFFFAOYSA-N
MW186.32 g/mol
LogP0.83
Rot. Bonds5

About N-(2-cyclopropylsulfanylethyl)pyrrolidin-3-amine

N-(2-cyclopropylsulfanylethyl)pyrrolidin-3-amine (PubChem CID 84660689) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is N-(2-cyclopropylsulfanylethyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-(2-cyclopropylsulfanylethyl)pyrrolidin-3-amine
PubChem CID84660689
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC NameN-(2-cyclopropylsulfanylethyl)pyrrolidin-3-amine
SMILESC1CC(NCCSC2CC2)CN1
InChIInChI=1S/C9H18N2S/c1-2-9(1)12-6-5-11-8-3-4-10-7-8/h8-11H,1-7H2
InChIKeyOXLJPRUOSKMMIS-UHFFFAOYSA-N
XLogP0.83
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-cyclopropylsulfanylethyl)pyrrolidin-3-amine with MolForge

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

Launch Full Analysis

Related Compounds

3-methyl-N-(2-piperidin-4-ylsulfanylethyl)cyclobutan-1-amine
CID 114628845
N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine
CID 79741324
N-but-3-ynylpyrrolidin-3-amine
CID 79741791
N-(2-phenylsulfanylethyl)pyrrolidin-3-amine
CID 79730811
N-(2-cyclopentylsulfanylethyl)cyclopropanamine
CID 63115389
(3S)-N-butylpyrrolidin-3-amine
CID 154470800
2,2,3,3-tetramethyl-N-(2-piperidin-4-ylsulfanylethyl)cyclopropan-1-amine
CID 114628750
3-[2-(piperidin-3-ylamino)ethylsulfanyl]propan-1-ol
CID 106309561
N-(cyclopropylmethyl)pyrrolidin-3-amine
CID 53350336
N-prop-2-ynylpyrrolidin-3-amine;trihydrochloride
CID 175958246
N',N'-dimethyl-N-pyrrolidin-3-ylbutane-1,4-diamine
CID 79742043
N-(2-cyclopropylsulfonylethyl)pyrrolidin-3-amine
CID 84684022

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylsulfanylethyl)pyrrolidin-3-amine?
The IUPAC name of N-(2-cyclopropylsulfanylethyl)pyrrolidin-3-amine (CID 84660689) is N-(2-cyclopropylsulfanylethyl)pyrrolidin-3-amine.
What is the SMILES notation for N-(2-cyclopropylsulfanylethyl)pyrrolidin-3-amine?
The canonical SMILES for N-(2-cyclopropylsulfanylethyl)pyrrolidin-3-amine is C1CC(NCCSC2CC2)CN1.
What is the InChIKey of N-(2-cyclopropylsulfanylethyl)pyrrolidin-3-amine?
The InChIKey is OXLJPRUOSKMMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c1-2-9(1)12-6-5-11-8-3-4-10-7-8/h8-11H,1-7H2.
What are the key properties of N-(2-cyclopropylsulfanylethyl)pyrrolidin-3-amine?
N-(2-cyclopropylsulfanylethyl)pyrrolidin-3-amine has a molecular weight of 186.32 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylsulfanylethyl)pyrrolidin-3-amine is sourced from PubChem (CID 84660689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).