N-[[(1S)-2-iodocyclopentyl]methylsulfanyl]methanamine

C7H14INS — CID 171766476

IUPACN-[[(1S)-2-iodocyclopentyl]methylsulfanyl]methanamine
SMILESCNSC[C@@H]1CCCC1I
InChIInChI=1S/C7H14INS/c1-9-10-5-6-3-2-4-7(6)8/h6-7,9H,2-5H2,1H3/t6-,7?/m0/s1
InChIKeyIKQXIJDJGKNKTL-PKPIPKONSA-N
MW271.17 g/mol
LogP2.46
Rot. Bonds3

About N-[[(1S)-2-iodocyclopentyl]methylsulfanyl]methanamine

N-[[(1S)-2-iodocyclopentyl]methylsulfanyl]methanamine (PubChem CID 171766476) has the molecular formula C7H14INS and a molecular weight of 271.17 g/mol. Its IUPAC name is N-[[(1S)-2-iodocyclopentyl]methylsulfanyl]methanamine.

Molecular Properties

Compound NameN-[[(1S)-2-iodocyclopentyl]methylsulfanyl]methanamine
PubChem CID171766476
Molecular FormulaC7H14INS
Molecular Weight271.17 g/mol
Exact Mass270.99
IUPAC NameN-[[(1S)-2-iodocyclopentyl]methylsulfanyl]methanamine
SMILESCNSC[C@@H]1CCCC1I
InChIInChI=1S/C7H14INS/c1-9-10-5-6-3-2-4-7(6)8/h6-7,9H,2-5H2,1H3/t6-,7?/m0/s1
InChIKeyIKQXIJDJGKNKTL-PKPIPKONSA-N
XLogP2.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.17
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[(1S)-2-chlorocyclopentyl]methylsulfanyl]methanamine
CID 171766663
2-(2-iodocyclopentyl)-N-methylacetamide
CID 147349767
cis-(1S,2R)-2-iodocyclopentan-1-amine
CID 90228959
1,3-diiodo-2-methylcyclohexane
CID 146238386
4-iodo-2-[(2-iodocyclopentyl)methyl]-5-methyloxane
CID 155441799
N-methyl-1-[2-(2-methylpropyl)cyclopentyl]methanamine
CID 81033789
1-(2-cyclohexylcyclopentyl)-N-methylmethanamine
CID 81033950
1-[(1S,2S)-2-iodocyclopentyl]-3-methylurea
CID 138652029
4-iodo-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene
CID 70595713
carbanide;cyclopentane;2-iodo-N,N-dimethylcyclopentan-1-amine;iron(2+)
CID 162293255
trans-(1R,2R)-1-ethoxy-2-iodocyclopentane
CID 138481777
cis-(1S,2R)-2-(methylaminomethyl)cyclopentan-1-ol
CID 13133890

Frequently Asked Questions

What is the IUPAC name of N-[[(1S)-2-iodocyclopentyl]methylsulfanyl]methanamine?
The IUPAC name of N-[[(1S)-2-iodocyclopentyl]methylsulfanyl]methanamine (CID 171766476) is N-[[(1S)-2-iodocyclopentyl]methylsulfanyl]methanamine.
What is the SMILES notation for N-[[(1S)-2-iodocyclopentyl]methylsulfanyl]methanamine?
The canonical SMILES for N-[[(1S)-2-iodocyclopentyl]methylsulfanyl]methanamine is CNSC[C@@H]1CCCC1I.
What is the InChIKey of N-[[(1S)-2-iodocyclopentyl]methylsulfanyl]methanamine?
The InChIKey is IKQXIJDJGKNKTL-PKPIPKONSA-N. The full InChI is InChI=1S/C7H14INS/c1-9-10-5-6-3-2-4-7(6)8/h6-7,9H,2-5H2,1H3/t6-,7?/m0/s1.
What are the key properties of N-[[(1S)-2-iodocyclopentyl]methylsulfanyl]methanamine?
N-[[(1S)-2-iodocyclopentyl]methylsulfanyl]methanamine has a molecular weight of 271.17 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S)-2-iodocyclopentyl]methylsulfanyl]methanamine is sourced from PubChem (CID 171766476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).