cis-(1R,3S)-3-methylsulfonyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine

C12H20N2O2S2 — CID 124731701

IUPACcis-(1R,3S)-3-methylsulfonyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
SMILESCc1cnc(CN[C@@H]2CCC[C@H](S(C)(=O)=O)C2)s1
InChIInChI=1S/C12H20N2O2S2/c1-9-7-14-12(17-9)8-13-10-4-3-5-11(6-10)18(2,15)16/h7,10-11,13H,3-6,8H2,1-2H3/t10-,11+/m1/s1
InChIKeyJDJDJMXLVRVYAV-MNOVXSKESA-N
MW288.44 g/mol
LogP1.90
Rot. Bonds4

About cis-(1R,3S)-3-methylsulfonyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine

cis-(1R,3S)-3-methylsulfonyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine (PubChem CID 124731701) has the molecular formula C12H20N2O2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is cis-(1R,3S)-3-methylsulfonyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,3S)-3-methylsulfonyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
PubChem CID124731701
Molecular FormulaC12H20N2O2S2
Molecular Weight288.44 g/mol
Exact Mass288.10
IUPAC Namecis-(1R,3S)-3-methylsulfonyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
SMILESCc1cnc(CN[C@@H]2CCC[C@H](S(C)(=O)=O)C2)s1
InChIInChI=1S/C12H20N2O2S2/c1-9-7-14-12(17-9)8-13-10-4-3-5-11(6-10)18(2,15)16/h7,10-11,13H,3-6,8H2,1-2H3/t10-,11+/m1/s1
InChIKeyJDJDJMXLVRVYAV-MNOVXSKESA-N
XLogP1.90
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze cis-(1R,3S)-3-methylsulfonyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine with MolForge

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Related Compounds

N-[(5-methyl-1,3-thiazol-2-yl)methyl]cycloheptanamine
CID 115655830
N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine;dihydrochloride
CID 56773659
3-methylsulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine
CID 79002701
N-[(5-methyl-1,3-thiazol-2-yl)methyl]oxetan-3-amine
CID 103874822
[4-[[(3-methylsulfonylcyclohexyl)amino]methyl]phenyl]methanol
CID 107230919
N-[(4-fluorophenyl)methyl]-3-methylsulfonylcyclohexan-1-amine
CID 79003256
2,6-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
CID 115724485
N-[(5-methyl-1,3-thiazol-2-yl)methyl]oxepan-4-amine
CID 103894937
1,2-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 103786250
trans-(1S,3S)-N-(1-benzothiophen-2-ylmethyl)-3-methylsulfonylcyclohexan-1-amine
CID 97224328
1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]azepan-4-amine
CID 103859828
2-ethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine
CID 115724522

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-methylsulfonyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine?
The IUPAC name of cis-(1R,3S)-3-methylsulfonyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine (CID 124731701) is cis-(1R,3S)-3-methylsulfonyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for cis-(1R,3S)-3-methylsulfonyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for cis-(1R,3S)-3-methylsulfonyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine is Cc1cnc(CN[C@@H]2CCC[C@H](S(C)(=O)=O)C2)s1.
What is the InChIKey of cis-(1R,3S)-3-methylsulfonyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine?
The InChIKey is JDJDJMXLVRVYAV-MNOVXSKESA-N. The full InChI is InChI=1S/C12H20N2O2S2/c1-9-7-14-12(17-9)8-13-10-4-3-5-11(6-10)18(2,15)16/h7,10-11,13H,3-6,8H2,1-2H3/t10-,11+/m1/s1.
What are the key properties of cis-(1R,3S)-3-methylsulfonyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine?
cis-(1R,3S)-3-methylsulfonyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine has a molecular weight of 288.44 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-methylsulfonyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 124731701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).