N,2-dimethyl-3-(1,4-thiazepan-4-yl)propan-1-amine

C10H22N2S — CID 62412404

IUPACN,2-dimethyl-3-(1,4-thiazepan-4-yl)propan-1-amine
SMILESCNCC(C)CN1CCCSCC1
InChIInChI=1S/C10H22N2S/c1-10(8-11-2)9-12-4-3-6-13-7-5-12/h10-11H,3-9H2,1-2H3
InChIKeyQMLMXCJLCPMRNJ-UHFFFAOYSA-N
MW202.37 g/mol
LogP1.28
Rot. Bonds4

About N,2-dimethyl-3-(1,4-thiazepan-4-yl)propan-1-amine

N,2-dimethyl-3-(1,4-thiazepan-4-yl)propan-1-amine (PubChem CID 62412404) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is N,2-dimethyl-3-(1,4-thiazepan-4-yl)propan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-3-(1,4-thiazepan-4-yl)propan-1-amine
PubChem CID62412404
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC NameN,2-dimethyl-3-(1,4-thiazepan-4-yl)propan-1-amine
SMILESCNCC(C)CN1CCCSCC1
InChIInChI=1S/C10H22N2S/c1-10(8-11-2)9-12-4-3-6-13-7-5-12/h10-11H,3-9H2,1-2H3
InChIKeyQMLMXCJLCPMRNJ-UHFFFAOYSA-N
XLogP1.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-(1,4-thiazepan-4-yl)propan-1-amine?
The IUPAC name of N,2-dimethyl-3-(1,4-thiazepan-4-yl)propan-1-amine (CID 62412404) is N,2-dimethyl-3-(1,4-thiazepan-4-yl)propan-1-amine.
What is the SMILES notation for N,2-dimethyl-3-(1,4-thiazepan-4-yl)propan-1-amine?
The canonical SMILES for N,2-dimethyl-3-(1,4-thiazepan-4-yl)propan-1-amine is CNCC(C)CN1CCCSCC1.
What is the InChIKey of N,2-dimethyl-3-(1,4-thiazepan-4-yl)propan-1-amine?
The InChIKey is QMLMXCJLCPMRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-10(8-11-2)9-12-4-3-6-13-7-5-12/h10-11H,3-9H2,1-2H3.
What are the key properties of N,2-dimethyl-3-(1,4-thiazepan-4-yl)propan-1-amine?
N,2-dimethyl-3-(1,4-thiazepan-4-yl)propan-1-amine has a molecular weight of 202.37 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-(1,4-thiazepan-4-yl)propan-1-amine is sourced from PubChem (CID 62412404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).