[4-(7,7-dimethyl-1,4-thiazepan-4-yl)-1-propan-2-ylpiperidin-4-yl]methanamine

C16H33N3S — CID 107454254

IUPAC[4-(7,7-dimethyl-1,4-thiazepan-4-yl)-1-propan-2-ylpiperidin-4-yl]methanamine
SMILESCC(C)N1CCC(CN)(N2CCSC(C)(C)CC2)CC1
InChIInChI=1S/C16H33N3S/c1-14(2)18-8-6-16(13-17,7-9-18)19-10-5-15(3,4)20-12-11-19/h14H,5-13,17H2,1-4H3
InChIKeyQFAPGPXVXILENL-UHFFFAOYSA-N
MW299.53 g/mol
LogP2.41
Rot. Bonds3

About [4-(7,7-dimethyl-1,4-thiazepan-4-yl)-1-propan-2-ylpiperidin-4-yl]methanamine

[4-(7,7-dimethyl-1,4-thiazepan-4-yl)-1-propan-2-ylpiperidin-4-yl]methanamine (PubChem CID 107454254) has the molecular formula C16H33N3S and a molecular weight of 299.53 g/mol. Its IUPAC name is [4-(7,7-dimethyl-1,4-thiazepan-4-yl)-1-propan-2-ylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[4-(7,7-dimethyl-1,4-thiazepan-4-yl)-1-propan-2-ylpiperidin-4-yl]methanamine
PubChem CID107454254
Molecular FormulaC16H33N3S
Molecular Weight299.53 g/mol
Exact Mass299.24
IUPAC Name[4-(7,7-dimethyl-1,4-thiazepan-4-yl)-1-propan-2-ylpiperidin-4-yl]methanamine
SMILESCC(C)N1CCC(CN)(N2CCSC(C)(C)CC2)CC1
InChIInChI=1S/C16H33N3S/c1-14(2)18-8-6-16(13-17,7-9-18)19-10-5-15(3,4)20-12-11-19/h14H,5-13,17H2,1-4H3
InChIKeyQFAPGPXVXILENL-UHFFFAOYSA-N
XLogP2.41
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.53
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(7,7-dimethyl-1,4-thiazepan-4-yl)-1-propan-2-ylpiperidin-4-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(4,4-dimethylazepan-1-yl)-1-propan-2-ylazepan-4-yl]methanamine
CID 65283742
[1-(7,7-dimethyl-1,4-thiazepan-4-yl)-3,4-dimethylcyclohexyl]methanamine
CID 107453837
[4-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-ethyloxan-4-yl]methanamine
CID 107454297
3-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-methylbutan-1-amine
CID 107456007
[4-(4-methyl-1,4-diazepan-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine
CID 28745310
[3-(3-azaspiro[5.5]undecan-3-yl)-1-propan-2-ylpyrrolidin-3-yl]methanamine
CID 62937205
[3-(7,7-dimethyl-1,4-thiazepan-4-yl)-1,1-dioxothian-3-yl]methanamine
CID 107453906
[4-(4-methylsulfonylpiperazin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine
CID 62993592
[4-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-ethyl-2-methyloxan-4-yl]methanamine
CID 107453908
[4-(3-methylpyrrolidin-1-yl)-1-propan-2-ylazepan-4-yl]methanamine
CID 65078662
1-[4-(aminomethyl)-1-propan-2-ylazepan-4-yl]-N,N-dimethylpiperidin-4-amine
CID 65078068
[1-methyl-3-(4-propan-2-ylpiperazin-1-yl)pyrrolidin-3-yl]methanamine
CID 62977681

Frequently Asked Questions

What is the IUPAC name of [4-(7,7-dimethyl-1,4-thiazepan-4-yl)-1-propan-2-ylpiperidin-4-yl]methanamine?
The IUPAC name of [4-(7,7-dimethyl-1,4-thiazepan-4-yl)-1-propan-2-ylpiperidin-4-yl]methanamine (CID 107454254) is [4-(7,7-dimethyl-1,4-thiazepan-4-yl)-1-propan-2-ylpiperidin-4-yl]methanamine.
What is the SMILES notation for [4-(7,7-dimethyl-1,4-thiazepan-4-yl)-1-propan-2-ylpiperidin-4-yl]methanamine?
The canonical SMILES for [4-(7,7-dimethyl-1,4-thiazepan-4-yl)-1-propan-2-ylpiperidin-4-yl]methanamine is CC(C)N1CCC(CN)(N2CCSC(C)(C)CC2)CC1.
What is the InChIKey of [4-(7,7-dimethyl-1,4-thiazepan-4-yl)-1-propan-2-ylpiperidin-4-yl]methanamine?
The InChIKey is QFAPGPXVXILENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3S/c1-14(2)18-8-6-16(13-17,7-9-18)19-10-5-15(3,4)20-12-11-19/h14H,5-13,17H2,1-4H3.
What are the key properties of [4-(7,7-dimethyl-1,4-thiazepan-4-yl)-1-propan-2-ylpiperidin-4-yl]methanamine?
[4-(7,7-dimethyl-1,4-thiazepan-4-yl)-1-propan-2-ylpiperidin-4-yl]methanamine has a molecular weight of 299.53 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7,7-dimethyl-1,4-thiazepan-4-yl)-1-propan-2-ylpiperidin-4-yl]methanamine is sourced from PubChem (CID 107454254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).