1-(1,2,5-dithiazepan-5-ylmethyl)cyclopentan-1-amine

C10H20N2S2 — CID 130684129

IUPAC1-(1,2,5-dithiazepan-5-ylmethyl)cyclopentan-1-amine
SMILESNC1(CN2CCSSCC2)CCCC1
InChIInChI=1S/C10H20N2S2/c11-10(3-1-2-4-10)9-12-5-7-13-14-8-6-12/h1-9,11H2
InChIKeyBEXPPBKFSDXDNL-UHFFFAOYSA-N
MW232.42 g/mol
LogP1.95
Rot. Bonds2

About 1-(1,2,5-dithiazepan-5-ylmethyl)cyclopentan-1-amine

1-(1,2,5-dithiazepan-5-ylmethyl)cyclopentan-1-amine (PubChem CID 130684129) has the molecular formula C10H20N2S2 and a molecular weight of 232.42 g/mol. Its IUPAC name is 1-(1,2,5-dithiazepan-5-ylmethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(1,2,5-dithiazepan-5-ylmethyl)cyclopentan-1-amine
PubChem CID130684129
Molecular FormulaC10H20N2S2
Molecular Weight232.42 g/mol
Exact Mass232.11
IUPAC Name1-(1,2,5-dithiazepan-5-ylmethyl)cyclopentan-1-amine
SMILESNC1(CN2CCSSCC2)CCCC1
InChIInChI=1S/C10H20N2S2/c11-10(3-1-2-4-10)9-12-5-7-13-14-8-6-12/h1-9,11H2
InChIKeyBEXPPBKFSDXDNL-UHFFFAOYSA-N
XLogP1.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Related Compounds

1-[(4-methylidenepiperidin-1-yl)methyl]cyclopentan-1-amine
CID 130765907
1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-amine
CID 62968799
1-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-amine
CID 28745435
1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopentan-1-amine
CID 130640668
1-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine
CID 63625982
1-[(4-tert-butylpiperazin-1-yl)methyl]cyclobutan-1-amine
CID 81170801
1-(1,2,5-dithiazepan-5-ylmethyl)-N-methylcyclobutan-1-amine
CID 131102035
1-[(3-methoxy-3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 107393225
4-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]oxan-4-amine
CID 107456216
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)cyclohexan-1-amine
CID 79943257
1-(bromomethyl)cyclopentan-1-amine
CID 518855
1-[(3,5-dimethylpiperidin-1-yl)methyl]cyclobutan-1-amine
CID 81169692

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,5-dithiazepan-5-ylmethyl)cyclopentan-1-amine?
The IUPAC name of 1-(1,2,5-dithiazepan-5-ylmethyl)cyclopentan-1-amine (CID 130684129) is 1-(1,2,5-dithiazepan-5-ylmethyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(1,2,5-dithiazepan-5-ylmethyl)cyclopentan-1-amine?
The canonical SMILES for 1-(1,2,5-dithiazepan-5-ylmethyl)cyclopentan-1-amine is NC1(CN2CCSSCC2)CCCC1.
What is the InChIKey of 1-(1,2,5-dithiazepan-5-ylmethyl)cyclopentan-1-amine?
The InChIKey is BEXPPBKFSDXDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S2/c11-10(3-1-2-4-10)9-12-5-7-13-14-8-6-12/h1-9,11H2.
What are the key properties of 1-(1,2,5-dithiazepan-5-ylmethyl)cyclopentan-1-amine?
1-(1,2,5-dithiazepan-5-ylmethyl)cyclopentan-1-amine has a molecular weight of 232.42 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,5-dithiazepan-5-ylmethyl)cyclopentan-1-amine is sourced from PubChem (CID 130684129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).