N-(1-cyclopropylpent-4-enyl)thian-3-amine

C13H23NS — CID 115751474

IUPACN-(1-cyclopropylpent-4-enyl)thian-3-amine
SMILESC=CCCC(NC1CCCSC1)C1CC1
InChIInChI=1S/C13H23NS/c1-2-3-6-13(11-7-8-11)14-12-5-4-9-15-10-12/h2,11-14H,1,3-10H2
InChIKeyCTMVHBPCXJIFCO-UHFFFAOYSA-N
MW225.40 g/mol
LogP3.22
Rot. Bonds6

About N-(1-cyclopropylpent-4-enyl)thian-3-amine

N-(1-cyclopropylpent-4-enyl)thian-3-amine (PubChem CID 115751474) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is N-(1-cyclopropylpent-4-enyl)thian-3-amine.

Molecular Properties

Compound NameN-(1-cyclopropylpent-4-enyl)thian-3-amine
PubChem CID115751474
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC NameN-(1-cyclopropylpent-4-enyl)thian-3-amine
SMILESC=CCCC(NC1CCCSC1)C1CC1
InChIInChI=1S/C13H23NS/c1-2-3-6-13(11-7-8-11)14-12-5-4-9-15-10-12/h2,11-14H,1,3-10H2
InChIKeyCTMVHBPCXJIFCO-UHFFFAOYSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(dicyclopropylmethyl)thian-3-amine
CID 62872321
N-(1-cyclopropylpropyl)thiolan-3-amine
CID 103902644
2-(thian-3-ylamino)propane-1,3-diol
CID 65312497
2-[[(3R)-thian-3-yl]amino]propane-1,3-diol
CID 96981211
N-(6-methylhept-5-en-2-yl)thian-3-amine
CID 115726564
N-methyl-1-(thiolan-3-yl)oct-7-en-1-amine
CID 107012091
N-(4-ethylsulfanylbutan-2-yl)thian-3-amine
CID 115882201
3-(1-cyclopropylpent-4-enylamino)-2,2-dimethylpropan-1-ol
CID 115894959
(4R)-4-[[(3S)-thian-3-yl]amino]pentan-1-ol
CID 97051575
1-cyclopropyl-2-(thian-3-ylamino)ethanol
CID 63295321
2-(thiolan-3-ylamino)but-3-en-1-ol
CID 131206958
N-ethyl-1-(thiolan-3-yl)oct-7-en-1-amine
CID 107011890

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpent-4-enyl)thian-3-amine?
The IUPAC name of N-(1-cyclopropylpent-4-enyl)thian-3-amine (CID 115751474) is N-(1-cyclopropylpent-4-enyl)thian-3-amine.
What is the SMILES notation for N-(1-cyclopropylpent-4-enyl)thian-3-amine?
The canonical SMILES for N-(1-cyclopropylpent-4-enyl)thian-3-amine is C=CCCC(NC1CCCSC1)C1CC1.
What is the InChIKey of N-(1-cyclopropylpent-4-enyl)thian-3-amine?
The InChIKey is CTMVHBPCXJIFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS/c1-2-3-6-13(11-7-8-11)14-12-5-4-9-15-10-12/h2,11-14H,1,3-10H2.
What are the key properties of N-(1-cyclopropylpent-4-enyl)thian-3-amine?
N-(1-cyclopropylpent-4-enyl)thian-3-amine has a molecular weight of 225.40 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpent-4-enyl)thian-3-amine is sourced from PubChem (CID 115751474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).