2-(aminomethyl)-2-(cyclopropylmethyl)-4-propylsulfonylbutan-1-ol

C12H25NO3S — CID 106730792

IUPAC2-(aminomethyl)-2-(cyclopropylmethyl)-4-propylsulfonylbutan-1-ol
SMILESCCCS(=O)(=O)CCC(CN)(CO)CC1CC1
InChIInChI=1S/C12H25NO3S/c1-2-6-17(15,16)7-5-12(9-13,10-14)8-11-3-4-11/h11,14H,2-10,13H2,1H3
InChIKeyDSQNFYLQPCFPFA-UHFFFAOYSA-N
MW263.40 g/mol
LogP0.94
Rot. Bonds9

About 2-(aminomethyl)-2-(cyclopropylmethyl)-4-propylsulfonylbutan-1-ol

2-(aminomethyl)-2-(cyclopropylmethyl)-4-propylsulfonylbutan-1-ol (PubChem CID 106730792) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is 2-(aminomethyl)-2-(cyclopropylmethyl)-4-propylsulfonylbutan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-(cyclopropylmethyl)-4-propylsulfonylbutan-1-ol
PubChem CID106730792
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC Name2-(aminomethyl)-2-(cyclopropylmethyl)-4-propylsulfonylbutan-1-ol
SMILESCCCS(=O)(=O)CCC(CN)(CO)CC1CC1
InChIInChI=1S/C12H25NO3S/c1-2-6-17(15,16)7-5-12(9-13,10-14)8-11-3-4-11/h11,14H,2-10,13H2,1H3
InChIKeyDSQNFYLQPCFPFA-UHFFFAOYSA-N
XLogP0.94
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-2-(cyclohexylmethyl)-3-cyclopropylpropan-1-ol
CID 106506751
N-(2,2-diethyl-4-propylsulfonylbutyl)cyclopropanamine
CID 106729943
propylsulfonylmethylcyclopropane
CID 20644601
3-(aminomethyl)-3-methyl-5-propylsulfonylpentan-2-ol
CID 106734029
2-(aminomethyl)-2-ethyl-4-propylsulfonylbutanoic acid
CID 106737054
2-(aminomethyl)-2-(cyclopropylmethyl)-4-(1-methylimidazol-2-yl)butan-1-ol
CID 106506866
3,3-bis(bromomethyl)-1-propylsulfonylpentane
CID 106734917
3,3-bis(chloromethyl)-1-propylsulfonylhexane
CID 106734849
1-propylsulfonylpropane
CID 11709
2-cyclopropyl-N-(2-propylsulfonylethyl)ethanamine
CID 106723908
2-(aminomethyl)-2-(2-methylphenyl)-4-propylsulfonylbutan-1-ol
CID 106730774
2-(cyclopentylmethyl)-2-ethylbutan-1-ol
CID 66058711

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-(cyclopropylmethyl)-4-propylsulfonylbutan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-(cyclopropylmethyl)-4-propylsulfonylbutan-1-ol (CID 106730792) is 2-(aminomethyl)-2-(cyclopropylmethyl)-4-propylsulfonylbutan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-(cyclopropylmethyl)-4-propylsulfonylbutan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-(cyclopropylmethyl)-4-propylsulfonylbutan-1-ol is CCCS(=O)(=O)CCC(CN)(CO)CC1CC1.
What is the InChIKey of 2-(aminomethyl)-2-(cyclopropylmethyl)-4-propylsulfonylbutan-1-ol?
The InChIKey is DSQNFYLQPCFPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-2-6-17(15,16)7-5-12(9-13,10-14)8-11-3-4-11/h11,14H,2-10,13H2,1H3.
What are the key properties of 2-(aminomethyl)-2-(cyclopropylmethyl)-4-propylsulfonylbutan-1-ol?
2-(aminomethyl)-2-(cyclopropylmethyl)-4-propylsulfonylbutan-1-ol has a molecular weight of 263.40 g/mol, XLogP of 0.94, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-(cyclopropylmethyl)-4-propylsulfonylbutan-1-ol is sourced from PubChem (CID 106730792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).