(3S)-N-methyl-N-prop-2-enylthiolan-3-amine

C8H15NS — CID 146578698

IUPAC(3S)-N-methyl-N-prop-2-enylthiolan-3-amine
SMILESC=CCN(C)[C@H]1CCSC1
InChIInChI=1S/C8H15NS/c1-3-5-9(2)8-4-6-10-7-8/h3,8H,1,4-7H2,2H3/t8-/m0/s1
InChIKeySATMQBDFJCKUDU-QMMMGPOBSA-N
MW157.28 g/mol
LogP1.61
Rot. Bonds3

About (3S)-N-methyl-N-prop-2-enylthiolan-3-amine

(3S)-N-methyl-N-prop-2-enylthiolan-3-amine (PubChem CID 146578698) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is (3S)-N-methyl-N-prop-2-enylthiolan-3-amine.

Molecular Properties

Compound Name(3S)-N-methyl-N-prop-2-enylthiolan-3-amine
PubChem CID146578698
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name(3S)-N-methyl-N-prop-2-enylthiolan-3-amine
SMILESC=CCN(C)[C@H]1CCSC1
InChIInChI=1S/C8H15NS/c1-3-5-9(2)8-4-6-10-7-8/h3,8H,1,4-7H2,2H3/t8-/m0/s1
InChIKeySATMQBDFJCKUDU-QMMMGPOBSA-N
XLogP1.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-N-prop-2-enylthiolan-3-amine?
The IUPAC name of (3S)-N-methyl-N-prop-2-enylthiolan-3-amine (CID 146578698) is (3S)-N-methyl-N-prop-2-enylthiolan-3-amine.
What is the SMILES notation for (3S)-N-methyl-N-prop-2-enylthiolan-3-amine?
The canonical SMILES for (3S)-N-methyl-N-prop-2-enylthiolan-3-amine is C=CCN(C)[C@H]1CCSC1.
What is the InChIKey of (3S)-N-methyl-N-prop-2-enylthiolan-3-amine?
The InChIKey is SATMQBDFJCKUDU-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H15NS/c1-3-5-9(2)8-4-6-10-7-8/h3,8H,1,4-7H2,2H3/t8-/m0/s1.
What are the key properties of (3S)-N-methyl-N-prop-2-enylthiolan-3-amine?
(3S)-N-methyl-N-prop-2-enylthiolan-3-amine has a molecular weight of 157.28 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-N-prop-2-enylthiolan-3-amine is sourced from PubChem (CID 146578698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).