cis-(1S,3S)-1-(aminomethyl)-3-methylsulfonylcyclopentan-1-amine

C7H16N2O2S — CID 99997527

IUPACcis-(1S,3S)-1-(aminomethyl)-3-methylsulfonylcyclopentan-1-amine
SMILESCS(=O)(=O)[C@H]1CC[C@@](N)(CN)C1
InChIInChI=1S/C7H16N2O2S/c1-12(10,11)6-2-3-7(9,4-6)5-8/h6H,2-5,8-9H2,1H3/t6-,7-/m0/s1
InChIKeyGYEPCDZAJYBSOJ-BQBZGAKWSA-N
MW192.28 g/mol
LogP-0.76
Rot. Bonds2

About cis-(1S,3S)-1-(aminomethyl)-3-methylsulfonylcyclopentan-1-amine

cis-(1S,3S)-1-(aminomethyl)-3-methylsulfonylcyclopentan-1-amine (PubChem CID 99997527) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is cis-(1S,3S)-1-(aminomethyl)-3-methylsulfonylcyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,3S)-1-(aminomethyl)-3-methylsulfonylcyclopentan-1-amine
PubChem CID99997527
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Namecis-(1S,3S)-1-(aminomethyl)-3-methylsulfonylcyclopentan-1-amine
SMILESCS(=O)(=O)[C@H]1CC[C@@](N)(CN)C1
InChIInChI=1S/C7H16N2O2S/c1-12(10,11)6-2-3-7(9,4-6)5-8/h6H,2-5,8-9H2,1H3/t6-,7-/m0/s1
InChIKeyGYEPCDZAJYBSOJ-BQBZGAKWSA-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

[(1S,3R)-1-(aminomethyl)-3-methylsulfonylcyclopentyl]methanol
CID 99997499
1-(aminomethyl)-4-methylsulfonylcyclohexan-1-ol;hydrochloride
CID 146279083
1-(diazenylmethyl)-4-methylsulfonylcyclohexan-1-amine
CID 153377533
[(3S)-1-(hydroxymethyl)-3-methylsulfonylcyclopentyl]methanol
CID 99997590
(1S,2S,4S)-1-(aminomethyl)-4-methylsulfonylcyclohexane-1,2-diol
CID 155797851
1-(aminomethyl)-4-methylcyclohexan-1-amine
CID 43519520
cis-(1S,2S)-1-(aminomethyl)-2-methylsulfonylcyclopropan-1-amine
CID 99998438
1-(aminomethyl)-2-methylsulfonylcyclopentan-1-amine
CID 65045771
1-(aminomethyl)-4-ethylcyclohexan-1-amine
CID 43519516
3,4-dimethyl-1-(3-methylsulfonylpropyl)cyclohexan-1-amine
CID 64733955
[(3R)-1-(aminomethyl)-3-ethylsulfonylcyclopentyl]methanamine
CID 99997968
cis-(1R,3S)-1-(hydroxymethyl)-3-methylsulfonylcyclopentane-1-carbonitrile
CID 99997353

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3S)-1-(aminomethyl)-3-methylsulfonylcyclopentan-1-amine?
The IUPAC name of cis-(1S,3S)-1-(aminomethyl)-3-methylsulfonylcyclopentan-1-amine (CID 99997527) is cis-(1S,3S)-1-(aminomethyl)-3-methylsulfonylcyclopentan-1-amine.
What is the SMILES notation for cis-(1S,3S)-1-(aminomethyl)-3-methylsulfonylcyclopentan-1-amine?
The canonical SMILES for cis-(1S,3S)-1-(aminomethyl)-3-methylsulfonylcyclopentan-1-amine is CS(=O)(=O)[C@H]1CC[C@@](N)(CN)C1.
What is the InChIKey of cis-(1S,3S)-1-(aminomethyl)-3-methylsulfonylcyclopentan-1-amine?
The InChIKey is GYEPCDZAJYBSOJ-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-12(10,11)6-2-3-7(9,4-6)5-8/h6H,2-5,8-9H2,1H3/t6-,7-/m0/s1.
What are the key properties of cis-(1S,3S)-1-(aminomethyl)-3-methylsulfonylcyclopentan-1-amine?
cis-(1S,3S)-1-(aminomethyl)-3-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 cis-(1S,3S)-1-(aminomethyl)-3-methylsulfonylcyclopentan-1-amine is sourced from PubChem (CID 99997527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).