1-(aminomethyl)-2-methylsulfonylcyclopentan-1-amine

C7H16N2O2S — CID 65045771

IUPAC1-(aminomethyl)-2-methylsulfonylcyclopentan-1-amine
SMILESCS(=O)(=O)C1CCCC1(N)CN
InChIInChI=1S/C7H16N2O2S/c1-12(10,11)6-3-2-4-7(6,9)5-8/h6H,2-5,8-9H2,1H3
InChIKeyCAUKDLPZWCKJHV-UHFFFAOYSA-N
MW192.28 g/mol
LogP-0.76
Rot. Bonds2

About 1-(aminomethyl)-2-methylsulfonylcyclopentan-1-amine

1-(aminomethyl)-2-methylsulfonylcyclopentan-1-amine (PubChem CID 65045771) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is 1-(aminomethyl)-2-methylsulfonylcyclopentan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-2-methylsulfonylcyclopentan-1-amine
PubChem CID65045771
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name1-(aminomethyl)-2-methylsulfonylcyclopentan-1-amine
SMILESCS(=O)(=O)C1CCCC1(N)CN
InChIInChI=1S/C7H16N2O2S/c1-12(10,11)6-3-2-4-7(6,9)5-8/h6H,2-5,8-9H2,1H3
InChIKeyCAUKDLPZWCKJHV-UHFFFAOYSA-N
XLogP-0.76
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,2S)-1-(aminomethyl)-2-methylsulfonylcyclopropan-1-amine
CID 99998438
methyl 2-(1-amino-2-methylsulfonylcyclopentyl)acetate
CID 79848202
1-(aminomethyl)-N-methyl-2-methylsulfonyl-N-propan-2-ylcyclopentan-1-amine
CID 65045921
1-(2-aminoethyl)-2-methylsulfonylcyclopentan-1-ol
CID 79125934
[1-(2,6-dimethylthiomorpholin-4-yl)-2-methylsulfonylcyclopentyl]methanamine
CID 65044750
[2-(aminomethyl)-7-methylsulfonylspiro[2.4]heptan-2-yl]methanol
CID 65050172
[1-(3,4-dimethylpyrrolidin-1-yl)-2-methylsulfonylcyclopentyl]methanamine
CID 79188215
N-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-methylcycloheptanamine
CID 65045669
1-(aminomethyl)-N-(2-methoxyethyl)-2-methylsulfonylcyclopentan-1-amine
CID 65044744
1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylsulfonylcyclopentan-1-amine
CID 65045428
3-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]oxypropan-1-ol
CID 103377338
1-(1-aminobutan-2-yl)-2-methylsulfonylcyclopentan-1-ol
CID 79123466

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2-methylsulfonylcyclopentan-1-amine?
The IUPAC name of 1-(aminomethyl)-2-methylsulfonylcyclopentan-1-amine (CID 65045771) is 1-(aminomethyl)-2-methylsulfonylcyclopentan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-2-methylsulfonylcyclopentan-1-amine?
The canonical SMILES for 1-(aminomethyl)-2-methylsulfonylcyclopentan-1-amine is CS(=O)(=O)C1CCCC1(N)CN.
What is the InChIKey of 1-(aminomethyl)-2-methylsulfonylcyclopentan-1-amine?
The InChIKey is CAUKDLPZWCKJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-12(10,11)6-3-2-4-7(6,9)5-8/h6H,2-5,8-9H2,1H3.
What are the key properties of 1-(aminomethyl)-2-methylsulfonylcyclopentan-1-amine?
1-(aminomethyl)-2-methylsulfonylcyclopentan-1-amine has a molecular weight of 192.28 g/mol, XLogP of -0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-2-methylsulfonylcyclopentan-1-amine is sourced from PubChem (CID 65045771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).