3-butan-2-ylsulfonyl-N-propylcyclohexan-1-amine

C13H27NO2S — CID 64715675

IUPAC3-butan-2-ylsulfonyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCC(S(=O)(=O)C(C)CC)C1
InChIInChI=1S/C13H27NO2S/c1-4-9-14-12-7-6-8-13(10-12)17(15,16)11(3)5-2/h11-14H,4-10H2,1-3H3
InChIKeySQZNBVUKKWAFDJ-UHFFFAOYSA-N
MW261.43 g/mol
LogP2.51
Rot. Bonds6

About 3-butan-2-ylsulfonyl-N-propylcyclohexan-1-amine

3-butan-2-ylsulfonyl-N-propylcyclohexan-1-amine (PubChem CID 64715675) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is 3-butan-2-ylsulfonyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name3-butan-2-ylsulfonyl-N-propylcyclohexan-1-amine
PubChem CID64715675
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC Name3-butan-2-ylsulfonyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCC(S(=O)(=O)C(C)CC)C1
InChIInChI=1S/C13H27NO2S/c1-4-9-14-12-7-6-8-13(10-12)17(15,16)11(3)5-2/h11-14H,4-10H2,1-3H3
InChIKeySQZNBVUKKWAFDJ-UHFFFAOYSA-N
XLogP2.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methylcyclohexyl)sulfonyl-N-propylcyclohexan-1-amine
CID 64717553
3-(cyclopentylmethylsulfonyl)-N-propylcyclohexan-1-amine
CID 64717141
3-(2-methyloxolan-3-yl)sulfonyl-N-propylcyclohexan-1-amine
CID 107758035
3-(4-bromophenyl)sulfonyl-N-propylcyclohexan-1-amine
CID 64716929
N-propyl-3-propylsulfonylcyclopentan-1-amine
CID 64723445
trans-(1R,3R)-N-(2-ethylbutyl)-3-methylsulfonylcyclohexan-1-amine
CID 97096018
2-methyl-1-[3-(propylamino)cyclohexyl]propan-1-one
CID 57325217
2-cyclopentylsulfonyl-N-propylpropan-1-amine
CID 106512803
N-ethyl-3-(2-methylpropylsulfonyl)cyclohexan-1-amine
CID 64715674
cis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine
CID 15350394
2-cyclohexylsulfonyl-N-propylpropan-1-amine
CID 106512987
1-N-propylcyclohexane-1,3-diamine
CID 22026573

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-ylsulfonyl-N-propylcyclohexan-1-amine?
The IUPAC name of 3-butan-2-ylsulfonyl-N-propylcyclohexan-1-amine (CID 64715675) is 3-butan-2-ylsulfonyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 3-butan-2-ylsulfonyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 3-butan-2-ylsulfonyl-N-propylcyclohexan-1-amine is CCCNC1CCCC(S(=O)(=O)C(C)CC)C1.
What is the InChIKey of 3-butan-2-ylsulfonyl-N-propylcyclohexan-1-amine?
The InChIKey is SQZNBVUKKWAFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-4-9-14-12-7-6-8-13(10-12)17(15,16)11(3)5-2/h11-14H,4-10H2,1-3H3.
What are the key properties of 3-butan-2-ylsulfonyl-N-propylcyclohexan-1-amine?
3-butan-2-ylsulfonyl-N-propylcyclohexan-1-amine has a molecular weight of 261.43 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-ylsulfonyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 64715675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).