N-[tris(prop-2-enyl)-λ4-sulfanyl]propan-1-amine

C12H23NS — CID 170210028

IUPACN-[tris(prop-2-enyl)-λ4-sulfanyl]propan-1-amine
SMILESC=CCS(CC=C)(CC=C)NCCC
InChIInChI=1S/C12H23NS/c1-5-9-13-14(10-6-2,11-7-3)12-8-4/h6-8,13H,2-5,9-12H2,1H3
InChIKeyJEOXRBABTZHJNO-UHFFFAOYSA-N
MW213.39 g/mol
LogP3.26
Rot. Bonds9

About N-[tris(prop-2-enyl)-λ4-sulfanyl]propan-1-amine

N-[tris(prop-2-enyl)-λ4-sulfanyl]propan-1-amine (PubChem CID 170210028) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is N-[tris(prop-2-enyl)-λ4-sulfanyl]propan-1-amine.

Molecular Properties

Compound NameN-[tris(prop-2-enyl)-λ4-sulfanyl]propan-1-amine
PubChem CID170210028
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC NameN-[tris(prop-2-enyl)-λ4-sulfanyl]propan-1-amine
SMILESC=CCS(CC=C)(CC=C)NCCC
InChIInChI=1S/C12H23NS/c1-5-9-13-14(10-6-2,11-7-3)12-8-4/h6-8,13H,2-5,9-12H2,1H3
InChIKeyJEOXRBABTZHJNO-UHFFFAOYSA-N
XLogP3.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(propylsulfamoyl)prop-2-enamide
CID 154223157
phosphane;prop-2-ene-1-sulfonic acid
CID 87475193
N-ethenylpropan-1-amine;methane
CID 158278470
nickel;prop-2-ene-1-sulfonic acid
CID 87111330
N-prop-2-enyltridecan-1-amine
CID 22467882
N-propylhepta-1,6-dien-4-amine
CID 88756960
N-ethyl-N-propylprop-2-ene-1-sulfonamide
CID 143361636
ethenol;prop-2-ene-1-sulfonic acid
CID 174528992
trisodium;hydride;pentakis(prop-2-ene-1-sulfonic acid)
CID 173239451
cesium;hydride;prop-2-ene-1-sulfonic acid
CID 173073935
1-N,1-N-dimethyl-3-N-propylhept-6-ene-1,3-diamine
CID 115346716
prop-2-ene-1-sulfonic acid;trimethyl(octyl)azanium
CID 88536950

Frequently Asked Questions

What is the IUPAC name of N-[tris(prop-2-enyl)-λ4-sulfanyl]propan-1-amine?
The IUPAC name of N-[tris(prop-2-enyl)-λ4-sulfanyl]propan-1-amine (CID 170210028) is N-[tris(prop-2-enyl)-λ4-sulfanyl]propan-1-amine.
What is the SMILES notation for N-[tris(prop-2-enyl)-λ4-sulfanyl]propan-1-amine?
The canonical SMILES for N-[tris(prop-2-enyl)-λ4-sulfanyl]propan-1-amine is C=CCS(CC=C)(CC=C)NCCC.
What is the InChIKey of N-[tris(prop-2-enyl)-λ4-sulfanyl]propan-1-amine?
The InChIKey is JEOXRBABTZHJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NS/c1-5-9-13-14(10-6-2,11-7-3)12-8-4/h6-8,13H,2-5,9-12H2,1H3.
What are the key properties of N-[tris(prop-2-enyl)-λ4-sulfanyl]propan-1-amine?
N-[tris(prop-2-enyl)-λ4-sulfanyl]propan-1-amine has a molecular weight of 213.39 g/mol, XLogP of 3.26, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[tris(prop-2-enyl)-λ4-sulfanyl]propan-1-amine is sourced from PubChem (CID 170210028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).