1-cyclohexylsulfonyl-3-(propylamino)propan-2-ol

C12H25NO3S — CID 115476715

IUPAC1-cyclohexylsulfonyl-3-(propylamino)propan-2-ol
SMILESCCCNCC(O)CS(=O)(=O)C1CCCCC1
InChIInChI=1S/C12H25NO3S/c1-2-8-13-9-11(14)10-17(15,16)12-6-4-3-5-7-12/h11-14H,2-10H2,1H3
InChIKeyASBISOHLFBQKNB-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.09
Rot. Bonds7

About 1-cyclohexylsulfonyl-3-(propylamino)propan-2-ol

1-cyclohexylsulfonyl-3-(propylamino)propan-2-ol (PubChem CID 115476715) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is 1-cyclohexylsulfonyl-3-(propylamino)propan-2-ol.

Molecular Properties

Compound Name1-cyclohexylsulfonyl-3-(propylamino)propan-2-ol
PubChem CID115476715
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC Name1-cyclohexylsulfonyl-3-(propylamino)propan-2-ol
SMILESCCCNCC(O)CS(=O)(=O)C1CCCCC1
InChIInChI=1S/C12H25NO3S/c1-2-8-13-9-11(14)10-17(15,16)12-6-4-3-5-7-12/h11-14H,2-10H2,1H3
InChIKeyASBISOHLFBQKNB-UHFFFAOYSA-N
XLogP1.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-((2-Hydroxypropyl)amino)-1lambda6-thiane-1,1-dione hydrochloride
CID 75511749
4-((2-Hydroxypropyl)amino)tetrahydro-2H-thiopyran 1,1-dioxide
CID 43511752
1lambda~6~-Thiolane-1,1-dione--1,1'-azanediyldi(propan-2-ol)--water (1/1/1)
CID 190009
(2S)-1-[4-(4,4,4-trifluorobutylsulfonyl)butylamino]propan-2-ol
CID 86696837
(2R)-1-[4-(4,4,4-trifluorobutylsulfonyl)butylamino]propan-2-ol
CID 86696838
1-[4-(4,4,4-Trifluorobutylsulfonyl)butylamino]propan-2-ol
CID 88547182
1,1,1-Trifluoro-3-(2-propan-2-ylsulfonylethylamino)propan-2-ol
CID 105644725
1,1,1-Trifluoro-3-(2-propylsulfonylethylamino)propan-2-ol
CID 105644968
3-(3-Ethylsulfonylpropylamino)-1,1,1-trifluoropropan-2-ol
CID 105645059
1,1-Difluoro-3-(2-propan-2-ylsulfonylethylamino)propan-2-ol
CID 105645093
1,1-Difluoro-3-(2-propylsulfonylethylamino)propan-2-ol
CID 105645591
3-(3-Ethylsulfonylpropylamino)-1,1-difluoropropan-2-ol
CID 105645831

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylsulfonyl-3-(propylamino)propan-2-ol?
The IUPAC name of 1-cyclohexylsulfonyl-3-(propylamino)propan-2-ol (CID 115476715) is 1-cyclohexylsulfonyl-3-(propylamino)propan-2-ol.
What is the SMILES notation for 1-cyclohexylsulfonyl-3-(propylamino)propan-2-ol?
The canonical SMILES for 1-cyclohexylsulfonyl-3-(propylamino)propan-2-ol is CCCNCC(O)CS(=O)(=O)C1CCCCC1.
What is the InChIKey of 1-cyclohexylsulfonyl-3-(propylamino)propan-2-ol?
The InChIKey is ASBISOHLFBQKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-2-8-13-9-11(14)10-17(15,16)12-6-4-3-5-7-12/h11-14H,2-10H2,1H3.
What are the key properties of 1-cyclohexylsulfonyl-3-(propylamino)propan-2-ol?
1-cyclohexylsulfonyl-3-(propylamino)propan-2-ol has a molecular weight of 263.40 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylsulfonyl-3-(propylamino)propan-2-ol is sourced from PubChem (CID 115476715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).