trans-(1S,2S)-1-hydroxy-2-[[[methyl(propyl)sulfamoyl]amino]methyl]cyclopentane

C10H22N2O3S — CID 97244865

IUPACtrans-(1S,2S)-1-hydroxy-2-[[[methyl(propyl)sulfamoyl]amino]methyl]cyclopentane
SMILESCCCN(C)S(=O)(=O)NC[C@@H]1CCC[C@@H]1O
InChIInChI=1S/C10H22N2O3S/c1-3-7-12(2)16(14,15)11-8-9-5-4-6-10(9)13/h9-11,13H,3-8H2,1-2H3/t9-,10-/m0/s1
InChIKeyCDEVZTHDSXZGLP-UWVGGRQHSA-N
MW250.36 g/mol
LogP0.32
Rot. Bonds6

About trans-(1S,2S)-1-hydroxy-2-[[[methyl(propyl)sulfamoyl]amino]methyl]cyclopentane

trans-(1S,2S)-1-hydroxy-2-[[[methyl(propyl)sulfamoyl]amino]methyl]cyclopentane (PubChem CID 97244865) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is trans-(1S,2S)-1-hydroxy-2-[[[methyl(propyl)sulfamoyl]amino]methyl]cyclopentane.

Molecular Properties

Compound Nametrans-(1S,2S)-1-hydroxy-2-[[[methyl(propyl)sulfamoyl]amino]methyl]cyclopentane
PubChem CID97244865
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Nametrans-(1S,2S)-1-hydroxy-2-[[[methyl(propyl)sulfamoyl]amino]methyl]cyclopentane
SMILESCCCN(C)S(=O)(=O)NC[C@@H]1CCC[C@@H]1O
InChIInChI=1S/C10H22N2O3S/c1-3-7-12(2)16(14,15)11-8-9-5-4-6-10(9)13/h9-11,13H,3-8H2,1-2H3/t9-,10-/m0/s1
InChIKeyCDEVZTHDSXZGLP-UWVGGRQHSA-N
XLogP0.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(dipropylsulfamoylamino)methyl]-2-hydroxycyclohexane
CID 64912245
1-hydroxy-2-[(sulfamoylamino)methyl]cyclopentane
CID 112695783
N-[(2-hydroxycyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide
CID 82843046
1-methyl-2-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]cyclopentane
CID 106088303
2-[[(methylsulfonimidoyl)amino]methyl]cyclohexan-1-ol
CID 164656075
cis-(1S,2R)-2-(methylaminomethyl)cyclopentan-1-ol
CID 13133890
N-[(2-hydroxycyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide
CID 103697972
N-[(2-hydroxycyclopentyl)methyl]-N-methylbutane-1-sulfonamide
CID 109395950
3-ethyl-N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]benzenesulfonamide
CID 97244901
N-[(2-hydroxycyclohexyl)methyl]-2-methylsulfonylethanesulfonamide
CID 64911395
1-[(dipropylsulfamoylamino)methyl]-3-hydroxycyclohexane
CID 103835757
3-chloro-N-[(2-hydroxycyclopentyl)methyl]-2-methylpropane-1-sulfonamide
CID 79588970

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-1-hydroxy-2-[[[methyl(propyl)sulfamoyl]amino]methyl]cyclopentane?
The IUPAC name of trans-(1S,2S)-1-hydroxy-2-[[[methyl(propyl)sulfamoyl]amino]methyl]cyclopentane (CID 97244865) is trans-(1S,2S)-1-hydroxy-2-[[[methyl(propyl)sulfamoyl]amino]methyl]cyclopentane.
What is the SMILES notation for trans-(1S,2S)-1-hydroxy-2-[[[methyl(propyl)sulfamoyl]amino]methyl]cyclopentane?
The canonical SMILES for trans-(1S,2S)-1-hydroxy-2-[[[methyl(propyl)sulfamoyl]amino]methyl]cyclopentane is CCCN(C)S(=O)(=O)NC[C@@H]1CCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-1-hydroxy-2-[[[methyl(propyl)sulfamoyl]amino]methyl]cyclopentane?
The InChIKey is CDEVZTHDSXZGLP-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-3-7-12(2)16(14,15)11-8-9-5-4-6-10(9)13/h9-11,13H,3-8H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of trans-(1S,2S)-1-hydroxy-2-[[[methyl(propyl)sulfamoyl]amino]methyl]cyclopentane?
trans-(1S,2S)-1-hydroxy-2-[[[methyl(propyl)sulfamoyl]amino]methyl]cyclopentane has a molecular weight of 250.36 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-1-hydroxy-2-[[[methyl(propyl)sulfamoyl]amino]methyl]cyclopentane is sourced from PubChem (CID 97244865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).