cis-(1S,2R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfonylcyclopentan-1-amine

C12H21N3O2S — CID 124725633

IUPACcis-(1S,2R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfonylcyclopentan-1-amine
SMILESCN(Cc1cnn(C)c1)[C@H]1CCC[C@H]1S(C)(=O)=O
InChIInChI=1S/C12H21N3O2S/c1-14(8-10-7-13-15(2)9-10)11-5-4-6-12(11)18(3,16)17/h7,9,11-12H,4-6,8H2,1-3H3/t11-,12+/m0/s1
InChIKeyBIRJQMYJGFJXMQ-NWDGAFQWSA-N
MW271.39 g/mol
LogP0.82
Rot. Bonds4

About cis-(1S,2R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfonylcyclopentan-1-amine

cis-(1S,2R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfonylcyclopentan-1-amine (PubChem CID 124725633) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is cis-(1S,2R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfonylcyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,2R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfonylcyclopentan-1-amine
PubChem CID124725633
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Namecis-(1S,2R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfonylcyclopentan-1-amine
SMILESCN(Cc1cnn(C)c1)[C@H]1CCC[C@H]1S(C)(=O)=O
InChIInChI=1S/C12H21N3O2S/c1-14(8-10-7-13-15(2)9-10)11-5-4-6-12(11)18(3,16)17/h7,9,11-12H,4-6,8H2,1-3H3/t11-,12+/m0/s1
InChIKeyBIRJQMYJGFJXMQ-NWDGAFQWSA-N
XLogP0.82
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

trans-(1S,2S)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-methylsulfonylcyclohexan-1-amine
CID 96567808
cis-(1S,2R)-N-methyl-2-methylsulfonyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine
CID 129422118
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-methylsulfonylbenzenesulfonamide
CID 134002545
4-cyclohexyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 39794981
4-ethyl-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]cyclohexane-1,2-diamine
CID 61438178
(3aR,4S,7aS)-N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-N-(pyridin-4-ylmethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
CID 97458264
4-methyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115420047
N'-methyl-N-(3-methylcyclohexyl)-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62556838
cis-(1S,2R)-N-methyl-2-methylsulfonyl-N-(quinolin-8-ylmethyl)cyclohexan-1-amine
CID 129427598
N'-cyclobutyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 102875260
2-N,4-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 115418953
N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-methylsulfonylbenzenesulfonamide
CID 47812984

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfonylcyclopentan-1-amine?
The IUPAC name of cis-(1S,2R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfonylcyclopentan-1-amine (CID 124725633) is cis-(1S,2R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfonylcyclopentan-1-amine.
What is the SMILES notation for cis-(1S,2R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfonylcyclopentan-1-amine?
The canonical SMILES for cis-(1S,2R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfonylcyclopentan-1-amine is CN(Cc1cnn(C)c1)[C@H]1CCC[C@H]1S(C)(=O)=O.
What is the InChIKey of cis-(1S,2R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfonylcyclopentan-1-amine?
The InChIKey is BIRJQMYJGFJXMQ-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-14(8-10-7-13-15(2)9-10)11-5-4-6-12(11)18(3,16)17/h7,9,11-12H,4-6,8H2,1-3H3/t11-,12+/m0/s1.
What are the key properties of cis-(1S,2R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfonylcyclopentan-1-amine?
cis-(1S,2R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfonylcyclopentan-1-amine has a molecular weight of 271.39 g/mol, XLogP of 0.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfonylcyclopentan-1-amine is sourced from PubChem (CID 124725633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).