N-cyclopropyl-N-[(2S)-1-hydroxyhexan-2-yl]propane-2-sulfonamide

C12H25NO3S — CID 170081111

IUPACN-cyclopropyl-N-[(2S)-1-hydroxyhexan-2-yl]propane-2-sulfonamide
SMILESCCCC[C@@H](CO)N(C1CC1)S(=O)(=O)C(C)C
InChIInChI=1S/C12H25NO3S/c1-4-5-6-12(9-14)13(11-7-8-11)17(15,16)10(2)3/h10-12,14H,4-9H2,1-3H3/t12-/m0/s1
InChIKeyAPSZSUNVVNOJFH-LBPRGKRZSA-N
MW263.40 g/mol
LogP1.74
Rot. Bonds8

About N-cyclopropyl-N-[(2S)-1-hydroxyhexan-2-yl]propane-2-sulfonamide

N-cyclopropyl-N-[(2S)-1-hydroxyhexan-2-yl]propane-2-sulfonamide (PubChem CID 170081111) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2S)-1-hydroxyhexan-2-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2S)-1-hydroxyhexan-2-yl]propane-2-sulfonamide
PubChem CID170081111
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC NameN-cyclopropyl-N-[(2S)-1-hydroxyhexan-2-yl]propane-2-sulfonamide
SMILESCCCC[C@@H](CO)N(C1CC1)S(=O)(=O)C(C)C
InChIInChI=1S/C12H25NO3S/c1-4-5-6-12(9-14)13(11-7-8-11)17(15,16)10(2)3/h10-12,14H,4-9H2,1-3H3/t12-/m0/s1
InChIKeyAPSZSUNVVNOJFH-LBPRGKRZSA-N
XLogP1.74
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-N-[(2S)-2-hydroxypropyl]cyclopropanesulfonamide
CID 164635570
(1-Ethylsulfonylpiperidin-2-yl)methanol
CID 43574451
Propane-1-sulfonic acid cyclopropyl-(2-hydroxy-ethyl)-amide
CID 43577530
Potassium 2-[bis(1-hydroxyhexan-2-yl)amino]ethanesulfonate
CID 58122631
2-[Bis(1-hydroxyhexan-2-yl)amino]ethanesulfonic acid
CID 58122632
Sodium 2-[bis(1-hydroxyhexan-2-yl)amino]ethanesulfonate
CID 58122636
Lithium 2-[bis(1-hydroxyhexan-2-yl)amino]ethanesulfonate
CID 58122641
Lithium 2-[hexan-2-yl(1-hydroxyhexan-2-yl)amino]ethanesulfonate
CID 58502704
2-[Hexan-2-yl(1-hydroxyhexan-2-yl)amino]ethanesulfonic acid
CID 58502705
[(2S)-1-propan-2-ylsulfonylpyrrolidin-2-yl]methanol
CID 59654487
[(2R)-1-propan-2-ylsulfonylpyrrolidin-2-yl]methanol
CID 59654556
(1-Propan-2-ylsulfonylpyrrolidin-2-yl)methanol
CID 61409013

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2S)-1-hydroxyhexan-2-yl]propane-2-sulfonamide?
The IUPAC name of N-cyclopropyl-N-[(2S)-1-hydroxyhexan-2-yl]propane-2-sulfonamide (CID 170081111) is N-cyclopropyl-N-[(2S)-1-hydroxyhexan-2-yl]propane-2-sulfonamide.
What is the SMILES notation for N-cyclopropyl-N-[(2S)-1-hydroxyhexan-2-yl]propane-2-sulfonamide?
The canonical SMILES for N-cyclopropyl-N-[(2S)-1-hydroxyhexan-2-yl]propane-2-sulfonamide is CCCC[C@@H](CO)N(C1CC1)S(=O)(=O)C(C)C.
What is the InChIKey of N-cyclopropyl-N-[(2S)-1-hydroxyhexan-2-yl]propane-2-sulfonamide?
The InChIKey is APSZSUNVVNOJFH-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-4-5-6-12(9-14)13(11-7-8-11)17(15,16)10(2)3/h10-12,14H,4-9H2,1-3H3/t12-/m0/s1.
What are the key properties of N-cyclopropyl-N-[(2S)-1-hydroxyhexan-2-yl]propane-2-sulfonamide?
N-cyclopropyl-N-[(2S)-1-hydroxyhexan-2-yl]propane-2-sulfonamide has a molecular weight of 263.40 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2S)-1-hydroxyhexan-2-yl]propane-2-sulfonamide is sourced from PubChem (CID 170081111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).