N-methyl-N-propan-2-ylthiolan-3-amine

C8H17NS — CID 130194928

IUPACN-methyl-N-propan-2-ylthiolan-3-amine
SMILESCC(C)N(C)C1CCSC1
InChIInChI=1S/C8H17NS/c1-7(2)9(3)8-4-5-10-6-8/h7-8H,4-6H2,1-3H3
InChIKeyIWDDBCMVKKIWQP-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.83
Rot. Bonds2

About N-methyl-N-propan-2-ylthiolan-3-amine

N-methyl-N-propan-2-ylthiolan-3-amine (PubChem CID 130194928) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is N-methyl-N-propan-2-ylthiolan-3-amine.

Molecular Properties

Compound NameN-methyl-N-propan-2-ylthiolan-3-amine
PubChem CID130194928
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC NameN-methyl-N-propan-2-ylthiolan-3-amine
SMILESCC(C)N(C)C1CCSC1
InChIInChI=1S/C8H17NS/c1-7(2)9(3)8-4-5-10-6-8/h7-8H,4-6H2,1-3H3
InChIKeyIWDDBCMVKKIWQP-UHFFFAOYSA-N
XLogP1.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propan-2-ylthiolan-3-amine?
The IUPAC name of N-methyl-N-propan-2-ylthiolan-3-amine (CID 130194928) is N-methyl-N-propan-2-ylthiolan-3-amine.
What is the SMILES notation for N-methyl-N-propan-2-ylthiolan-3-amine?
The canonical SMILES for N-methyl-N-propan-2-ylthiolan-3-amine is CC(C)N(C)C1CCSC1.
What is the InChIKey of N-methyl-N-propan-2-ylthiolan-3-amine?
The InChIKey is IWDDBCMVKKIWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-7(2)9(3)8-4-5-10-6-8/h7-8H,4-6H2,1-3H3.
What are the key properties of N-methyl-N-propan-2-ylthiolan-3-amine?
N-methyl-N-propan-2-ylthiolan-3-amine has a molecular weight of 159.30 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propan-2-ylthiolan-3-amine is sourced from PubChem (CID 130194928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).