N-prop-2-enylthian-2-amine

C8H15NS — CID 23566330

IUPACN-prop-2-enylthian-2-amine
SMILESC=CCNC1CCCCS1
InChIInChI=1S/C8H15NS/c1-2-6-9-8-5-3-4-7-10-8/h2,8-9H,1,3-7H2
InChIKeyNWVAUSMMILJPLZ-UHFFFAOYSA-N
MW157.28 g/mol
LogP2.01
Rot. Bonds3

About N-prop-2-enylthian-2-amine

N-prop-2-enylthian-2-amine (PubChem CID 23566330) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is N-prop-2-enylthian-2-amine.

Molecular Properties

Compound NameN-prop-2-enylthian-2-amine
PubChem CID23566330
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC NameN-prop-2-enylthian-2-amine
SMILESC=CCNC1CCCCS1
InChIInChI=1S/C8H15NS/c1-2-6-9-8-5-3-4-7-10-8/h2,8-9H,1,3-7H2
InChIKeyNWVAUSMMILJPLZ-UHFFFAOYSA-N
XLogP2.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 52.01
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

3-[(E)-prop-1-enyl]sulfanylpiperidine
CID 172623859
N-pentyl-4-prop-2-enylsulfanylpentan-1-amine
CID 173230807
N-(prop-2-en-1-yl)thian-4-amine
CID 43394829
N-prop-2-enylthian-3-amine
CID 62872866
2-methyl-N-prop-2-enylthian-3-amine
CID 79957259
N-(thiolan-2-ylmethyl)prop-2-en-1-amine
CID 80585580
N-(thian-2-ylmethyl)but-3-en-1-amine
CID 80600621
N-(thian-2-ylmethyl)pent-4-en-1-amine
CID 80600811
N-(thian-2-ylmethyl)prop-2-en-1-amine
CID 80601181
4-Prop-2-enylsulfanylpiperidine
CID 82181265
3-Prop-2-enylsulfanylpiperidine
CID 84754995
3-But-3-enylsulfanylpiperidine
CID 84755048

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enylthian-2-amine?
The IUPAC name of N-prop-2-enylthian-2-amine (CID 23566330) is N-prop-2-enylthian-2-amine.
What is the SMILES notation for N-prop-2-enylthian-2-amine?
The canonical SMILES for N-prop-2-enylthian-2-amine is C=CCNC1CCCCS1.
What is the InChIKey of N-prop-2-enylthian-2-amine?
The InChIKey is NWVAUSMMILJPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-2-6-9-8-5-3-4-7-10-8/h2,8-9H,1,3-7H2.
What are the key properties of N-prop-2-enylthian-2-amine?
N-prop-2-enylthian-2-amine has a molecular weight of 157.28 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylthian-2-amine is sourced from PubChem (CID 23566330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).