4,4-dimethyl-3-(2-propan-2-ylsulfonylethylamino)pentan-1-ol

C12H27NO3S — CID 113434724

IUPAC4,4-dimethyl-3-(2-propan-2-ylsulfonylethylamino)pentan-1-ol
SMILESCC(C)S(=O)(=O)CCNC(CCO)C(C)(C)C
InChIInChI=1S/C12H27NO3S/c1-10(2)17(15,16)9-7-13-11(6-8-14)12(3,4)5/h10-11,13-14H,6-9H2,1-5H3
InChIKeySNVVBASILBTOSW-UHFFFAOYSA-N
MW265.42 g/mol
LogP1.20
Rot. Bonds7

About 4,4-dimethyl-3-(2-propan-2-ylsulfonylethylamino)pentan-1-ol

4,4-dimethyl-3-(2-propan-2-ylsulfonylethylamino)pentan-1-ol (PubChem CID 113434724) has the molecular formula C12H27NO3S and a molecular weight of 265.42 g/mol. Its IUPAC name is 4,4-dimethyl-3-(2-propan-2-ylsulfonylethylamino)pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-3-(2-propan-2-ylsulfonylethylamino)pentan-1-ol
PubChem CID113434724
Molecular FormulaC12H27NO3S
Molecular Weight265.42 g/mol
Exact Mass265.17
IUPAC Name4,4-dimethyl-3-(2-propan-2-ylsulfonylethylamino)pentan-1-ol
SMILESCC(C)S(=O)(=O)CCNC(CCO)C(C)(C)C
InChIInChI=1S/C12H27NO3S/c1-10(2)17(15,16)9-7-13-11(6-8-14)12(3,4)5/h10-11,13-14H,6-9H2,1-5H3
InChIKeySNVVBASILBTOSW-UHFFFAOYSA-N
XLogP1.20
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-hydroxybutylamino)-4,4-dimethylpentan-1-ol
CID 106349560
3-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol
CID 106349643
(2R)-2-(2-propan-2-ylsulfonylethylamino)propanoic acid
CID 106727678
4,4-dimethyl-3-[2-(trifluoromethoxy)ethylamino]pentan-1-ol
CID 107470442
3-[[(2S)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol
CID 106349684
3-(2,2-dimethylpropylamino)-4,4-dimethylpentan-1-ol
CID 106348997
4,4-dimethyl-3-(2-methylbutylamino)pentan-1-ol
CID 104627986
3-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-3-amine
CID 103864804
2-methyl-1-(2-propan-2-ylsulfonylethylamino)pentan-2-ol
CID 106293022
3-methyl-3-(2-propan-2-ylsulfonylethylamino)butanamide
CID 104580439
8-ethylsulfonyl-2,2-dimethyl-N-propyloctan-3-amine
CID 65097308
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1-methylsulfonylmethanesulfonamide
CID 106353433

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-(2-propan-2-ylsulfonylethylamino)pentan-1-ol?
The IUPAC name of 4,4-dimethyl-3-(2-propan-2-ylsulfonylethylamino)pentan-1-ol (CID 113434724) is 4,4-dimethyl-3-(2-propan-2-ylsulfonylethylamino)pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-3-(2-propan-2-ylsulfonylethylamino)pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-3-(2-propan-2-ylsulfonylethylamino)pentan-1-ol is CC(C)S(=O)(=O)CCNC(CCO)C(C)(C)C.
What is the InChIKey of 4,4-dimethyl-3-(2-propan-2-ylsulfonylethylamino)pentan-1-ol?
The InChIKey is SNVVBASILBTOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3S/c1-10(2)17(15,16)9-7-13-11(6-8-14)12(3,4)5/h10-11,13-14H,6-9H2,1-5H3.
What are the key properties of 4,4-dimethyl-3-(2-propan-2-ylsulfonylethylamino)pentan-1-ol?
4,4-dimethyl-3-(2-propan-2-ylsulfonylethylamino)pentan-1-ol has a molecular weight of 265.42 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-(2-propan-2-ylsulfonylethylamino)pentan-1-ol is sourced from PubChem (CID 113434724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).