[5,5-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)thian-3-yl]methanamine

C14H29N3S — CID 79958749

IUPAC[5,5-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)thian-3-yl]methanamine
SMILESCN1CCCN(C2(CN)CSCC(C)(C)C2)CC1
InChIInChI=1S/C14H29N3S/c1-13(2)9-14(10-15,12-18-11-13)17-6-4-5-16(3)7-8-17/h4-12,15H2,1-3H3
InChIKeyAWZNSOFBVCYNSF-UHFFFAOYSA-N
MW271.47 g/mol
LogP1.48
Rot. Bonds2

About [5,5-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)thian-3-yl]methanamine

[5,5-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)thian-3-yl]methanamine (PubChem CID 79958749) has the molecular formula C14H29N3S and a molecular weight of 271.47 g/mol. Its IUPAC name is [5,5-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)thian-3-yl]methanamine.

Molecular Properties

Compound Name[5,5-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)thian-3-yl]methanamine
PubChem CID79958749
Molecular FormulaC14H29N3S
Molecular Weight271.47 g/mol
Exact Mass271.21
IUPAC Name[5,5-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)thian-3-yl]methanamine
SMILESCN1CCCN(C2(CN)CSCC(C)(C)C2)CC1
InChIInChI=1S/C14H29N3S/c1-13(2)9-14(10-15,12-18-11-13)17-6-4-5-16(3)7-8-17/h4-12,15H2,1-3H3
InChIKeyAWZNSOFBVCYNSF-UHFFFAOYSA-N
XLogP1.48
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.47
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5,5-dimethyl-3-thiomorpholin-4-ylthian-3-yl)methanamine
CID 79958750
[5,5-dimethyl-3-(1,4-oxazepan-4-yl)thian-3-yl]methanamine
CID 79958271
[3-(3,3-dimethylpiperidin-1-yl)-5,5-dimethylthian-3-yl]methanamine
CID 79958923
[5,5-dimethyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)thian-3-yl]methanamine
CID 79957955
[4-(4-methyl-1,4-diazepan-1-yl)oxan-4-yl]methanamine
CID 43608698
[1-methyl-4-(4-methylpiperazin-1-yl)azepan-4-yl]methanamine
CID 65075564
[4-(4-methyl-1,4-diazepan-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine
CID 28745310
[3,3,5,5-tetramethyl-1-(1,4-thiazepan-4-yl)cyclohexyl]methanamine
CID 112682338
[3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-5,5-dimethylthian-3-yl]methanamine
CID 79953997
[5,5-dimethyl-3-(2,2,6-trimethylmorpholin-4-yl)thian-3-yl]methanamine
CID 79958109
[3-methyl-1-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]methanamine
CID 43209340
[1-(4-methyl-1,4-diazepan-1-yl)-4-propan-2-ylcycloheptyl]methanamine
CID 65091393

Frequently Asked Questions

What is the IUPAC name of [5,5-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)thian-3-yl]methanamine?
The IUPAC name of [5,5-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)thian-3-yl]methanamine (CID 79958749) is [5,5-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)thian-3-yl]methanamine.
What is the SMILES notation for [5,5-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)thian-3-yl]methanamine?
The canonical SMILES for [5,5-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)thian-3-yl]methanamine is CN1CCCN(C2(CN)CSCC(C)(C)C2)CC1.
What is the InChIKey of [5,5-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)thian-3-yl]methanamine?
The InChIKey is AWZNSOFBVCYNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3S/c1-13(2)9-14(10-15,12-18-11-13)17-6-4-5-16(3)7-8-17/h4-12,15H2,1-3H3.
What are the key properties of [5,5-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)thian-3-yl]methanamine?
[5,5-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)thian-3-yl]methanamine has a molecular weight of 271.47 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5,5-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)thian-3-yl]methanamine is sourced from PubChem (CID 79958749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).