(1-aminocyclopentyl)methylcarbamodithioic acid

C7H14N2S2 — CID 90481706

IUPAC(1-aminocyclopentyl)methylcarbamodithioic acid
SMILESNC1(CNC(=S)S)CCCC1
InChIInChI=1S/C7H14N2S2/c8-7(3-1-2-4-7)5-9-6(10)11/h1-5,8H2,(H2,9,10,11)
InChIKeyGGDQHHXSZCZUHY-UHFFFAOYSA-N
MW190.34 g/mol
LogP1.06
Rot. Bonds2

About (1-aminocyclopentyl)methylcarbamodithioic acid

(1-aminocyclopentyl)methylcarbamodithioic acid (PubChem CID 90481706) has the molecular formula C7H14N2S2 and a molecular weight of 190.34 g/mol. Its IUPAC name is (1-aminocyclopentyl)methylcarbamodithioic acid.

Molecular Properties

Compound Name(1-aminocyclopentyl)methylcarbamodithioic acid
PubChem CID90481706
Molecular FormulaC7H14N2S2
Molecular Weight190.34 g/mol
Exact Mass190.06
IUPAC Name(1-aminocyclopentyl)methylcarbamodithioic acid
SMILESNC1(CNC(=S)S)CCCC1
InChIInChI=1S/C7H14N2S2/c8-7(3-1-2-4-7)5-9-6(10)11/h1-5,8H2,(H2,9,10,11)
InChIKeyGGDQHHXSZCZUHY-UHFFFAOYSA-N
XLogP1.06
TPSA38.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.34
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(1-aminocyclohexyl)methylurea
CID 61298669
N-[(1-aminocyclohexyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 119404713
N-[(1-aminocyclopentyl)methyl]cyclobutanecarboxamide
CID 164661339
N-[(1-aminocyclohexyl)methyl]cyclooctanecarboxamide
CID 119404631
N-[(1-aminocyclohexyl)methyl]cycloheptanecarboxamide
CID 119404597
N-[(1-aminocyclopentyl)methyl]-2,2-difluoroacetamide
CID 164661336
(2S)-2-amino-N-[(1-aminocyclobutyl)methyl]propanamide
CID 130736337
N-[(1-aminocyclohexyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 119404697
N-[(1-aminocyclohexyl)methyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
CID 119404189
(1-aminocyclopentyl)methanol
CID 157241161
N-[(1-aminocyclohexyl)methyl]-2-propan-2-yloxyacetamide
CID 119404527
N-[(1-aminocyclohexyl)methyl]-2-methyl-3-methylsulfanylpropanamide
CID 119404176

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopentyl)methylcarbamodithioic acid?
The IUPAC name of (1-aminocyclopentyl)methylcarbamodithioic acid (CID 90481706) is (1-aminocyclopentyl)methylcarbamodithioic acid.
What is the SMILES notation for (1-aminocyclopentyl)methylcarbamodithioic acid?
The canonical SMILES for (1-aminocyclopentyl)methylcarbamodithioic acid is NC1(CNC(=S)S)CCCC1.
What is the InChIKey of (1-aminocyclopentyl)methylcarbamodithioic acid?
The InChIKey is GGDQHHXSZCZUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S2/c8-7(3-1-2-4-7)5-9-6(10)11/h1-5,8H2,(H2,9,10,11).
What are the key properties of (1-aminocyclopentyl)methylcarbamodithioic acid?
(1-aminocyclopentyl)methylcarbamodithioic acid has a molecular weight of 190.34 g/mol, XLogP of 1.06, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopentyl)methylcarbamodithioic acid is sourced from PubChem (CID 90481706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).