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

C9H20N2S — CID 62411870

IUPACN-methyl-2-(1,4-thiazepan-4-yl)propan-1-amine
SMILESCNCC(C)N1CCCSCC1
InChIInChI=1S/C9H20N2S/c1-9(8-10-2)11-4-3-6-12-7-5-11/h9-10H,3-8H2,1-2H3
InChIKeyQCZSGPRBPWLZOH-UHFFFAOYSA-N
MW188.34 g/mol
LogP1.03
Rot. Bonds3

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

N-methyl-2-(1,4-thiazepan-4-yl)propan-1-amine (PubChem CID 62411870) has the molecular formula C9H20N2S and a molecular weight of 188.34 g/mol. Its IUPAC name is N-methyl-2-(1,4-thiazepan-4-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(1,4-thiazepan-4-yl)propan-1-amine
PubChem CID62411870
Molecular FormulaC9H20N2S
Molecular Weight188.34 g/mol
Exact Mass188.13
IUPAC NameN-methyl-2-(1,4-thiazepan-4-yl)propan-1-amine
SMILESCNCC(C)N1CCCSCC1
InChIInChI=1S/C9H20N2S/c1-9(8-10-2)11-4-3-6-12-7-5-11/h9-10H,3-8H2,1-2H3
InChIKeyQCZSGPRBPWLZOH-UHFFFAOYSA-N
XLogP1.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-(1,4-thiazepan-4-yl)propyl]propan-1-amine
CID 62412047
3-methoxy-N-methyl-2-(1,4-thiazepan-4-yl)propan-1-amine
CID 103225065
N-methyl-2-(4-methyl-1,4-diazepan-1-yl)propan-1-amine
CID 62418612
2-(8-azaspiro[4.5]decan-8-yl)-N-methylpropan-1-amine
CID 63163571
N-propyl-3-(1,4-thiazepan-4-yl)butan-1-amine
CID 62412235
3-(1,4-thiazepan-4-yl)butanethioamide
CID 61419827
4-(1,4-thiazepan-4-yl)pentanehydrazide
CID 63578775
4-pentan-2-ylthiomorpholine
CID 127402640
N-(2-methylpropyl)-4-thiomorpholin-4-ylpentan-1-amine
CID 62417518
2-methyl-N-[2-phenyl-2-(1,4-thiazepan-4-yl)ethyl]propan-1-amine
CID 62412057
2-methyl-3-(methylamino)-1-thiomorpholin-4-ylpropan-1-one
CID 79196742
2-[4-[(dimethylamino)methyl]-4-ethylpiperidin-1-yl]-N-methylpropan-1-amine
CID 123284028

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1,4-thiazepan-4-yl)propan-1-amine?
The IUPAC name of N-methyl-2-(1,4-thiazepan-4-yl)propan-1-amine (CID 62411870) is N-methyl-2-(1,4-thiazepan-4-yl)propan-1-amine.
What is the SMILES notation for N-methyl-2-(1,4-thiazepan-4-yl)propan-1-amine?
The canonical SMILES for N-methyl-2-(1,4-thiazepan-4-yl)propan-1-amine is CNCC(C)N1CCCSCC1.
What is the InChIKey of N-methyl-2-(1,4-thiazepan-4-yl)propan-1-amine?
The InChIKey is QCZSGPRBPWLZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2S/c1-9(8-10-2)11-4-3-6-12-7-5-11/h9-10H,3-8H2,1-2H3.
What are the key properties of N-methyl-2-(1,4-thiazepan-4-yl)propan-1-amine?
N-methyl-2-(1,4-thiazepan-4-yl)propan-1-amine has a molecular weight of 188.34 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1,4-thiazepan-4-yl)propan-1-amine is sourced from PubChem (CID 62411870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).