N-propan-2-yl-N-propylsulfanylpropan-2-amine

C9H21NS — CID 13142420

IUPACN-propan-2-yl-N-propylsulfanylpropan-2-amine
SMILESCCCSN(C(C)C)C(C)C
InChIInChI=1S/C9H21NS/c1-6-7-11-10(8(2)3)9(4)5/h8-9H,6-7H2,1-5H3
InChIKeyRUABTBQLIQHJNI-UHFFFAOYSA-N
MW175.34 g/mol
LogP3.16
Rot. Bonds5

About N-propan-2-yl-N-propylsulfanylpropan-2-amine

N-propan-2-yl-N-propylsulfanylpropan-2-amine (PubChem CID 13142420) has the molecular formula C9H21NS and a molecular weight of 175.34 g/mol. Its IUPAC name is N-propan-2-yl-N-propylsulfanylpropan-2-amine.

Molecular Properties

Compound NameN-propan-2-yl-N-propylsulfanylpropan-2-amine
PubChem CID13142420
Molecular FormulaC9H21NS
Molecular Weight175.34 g/mol
Exact Mass175.14
IUPAC NameN-propan-2-yl-N-propylsulfanylpropan-2-amine
SMILESCCCSN(C(C)C)C(C)C
InChIInChI=1S/C9H21NS/c1-6-7-11-10(8(2)3)9(4)5/h8-9H,6-7H2,1-5H3
InChIKeyRUABTBQLIQHJNI-UHFFFAOYSA-N
XLogP3.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.34
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-propan-2-yl-N-propylsulfanylpropan-2-amine 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 N-propan-2-yl-N-propylsulfanylpropan-2-amine?
The IUPAC name of N-propan-2-yl-N-propylsulfanylpropan-2-amine (CID 13142420) is N-propan-2-yl-N-propylsulfanylpropan-2-amine.
What is the SMILES notation for N-propan-2-yl-N-propylsulfanylpropan-2-amine?
The canonical SMILES for N-propan-2-yl-N-propylsulfanylpropan-2-amine is CCCSN(C(C)C)C(C)C.
What is the InChIKey of N-propan-2-yl-N-propylsulfanylpropan-2-amine?
The InChIKey is RUABTBQLIQHJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NS/c1-6-7-11-10(8(2)3)9(4)5/h8-9H,6-7H2,1-5H3.
What are the key properties of N-propan-2-yl-N-propylsulfanylpropan-2-amine?
N-propan-2-yl-N-propylsulfanylpropan-2-amine has a molecular weight of 175.34 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-propylsulfanylpropan-2-amine is sourced from PubChem (CID 13142420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).