1-[(dipropylsulfamoylamino)methyl]-3-hydroxycyclohexane

C13H28N2O3S — CID 103835757

IUPAC1-[(dipropylsulfamoylamino)methyl]-3-hydroxycyclohexane
SMILESCCCN(CCC)S(=O)(=O)NCC1CCCC(O)C1
InChIInChI=1S/C13H28N2O3S/c1-3-8-15(9-4-2)19(17,18)14-11-12-6-5-7-13(16)10-12/h12-14,16H,3-11H2,1-2H3
InChIKeyTYRKCSAEFZYCMM-UHFFFAOYSA-N
MW292.44 g/mol
LogP1.49
Rot. Bonds8

About 1-[(dipropylsulfamoylamino)methyl]-3-hydroxycyclohexane

1-[(dipropylsulfamoylamino)methyl]-3-hydroxycyclohexane (PubChem CID 103835757) has the molecular formula C13H28N2O3S and a molecular weight of 292.44 g/mol. Its IUPAC name is 1-[(dipropylsulfamoylamino)methyl]-3-hydroxycyclohexane.

Molecular Properties

Compound Name1-[(dipropylsulfamoylamino)methyl]-3-hydroxycyclohexane
PubChem CID103835757
Molecular FormulaC13H28N2O3S
Molecular Weight292.44 g/mol
Exact Mass292.18
IUPAC Name1-[(dipropylsulfamoylamino)methyl]-3-hydroxycyclohexane
SMILESCCCN(CCC)S(=O)(=O)NCC1CCCC(O)C1
InChIInChI=1S/C13H28N2O3S/c1-3-8-15(9-4-2)19(17,18)14-11-12-6-5-7-13(16)10-12/h12-14,16H,3-11H2,1-2H3
InChIKeyTYRKCSAEFZYCMM-UHFFFAOYSA-N
XLogP1.49
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-hydroxycyclohexyl)methyl]propane-1-sulfonamide
CID 103697688
1-[(dipropylsulfamoylamino)methyl]-2-hydroxycyclohexane
CID 64912245
ethyl 2-[(3-hydroxycyclohexyl)methylsulfamoyl]acetate
CID 113318541
N-[(3-hydroxycyclohexyl)methyl]prop-2-ene-1-sulfonamide
CID 106126398
N-[(3-hydroxycyclohexyl)methyl]-3,5-dimethylbenzenesulfonamide
CID 106126424
N-[(3-hydroxycyclohexyl)methyl]oxane-4-sulfonamide
CID 103835779
3,5-dichloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 103835805
3-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol
CID 103914206
trans-(1S,2S)-1-hydroxy-2-[[[methyl(propyl)sulfamoyl]amino]methyl]cyclopentane
CID 97244865
1-[(dipropylsulfamoylamino)methyl]-1-hydroxycycloheptane
CID 65122112
1-(4-aminophenyl)-N-[(3-hydroxycyclohexyl)methyl]methanesulfonamide
CID 106119368
2-amino-N-[(3-hydroxycyclohexyl)methyl]hexanamide
CID 103950314

Frequently Asked Questions

What is the IUPAC name of 1-[(dipropylsulfamoylamino)methyl]-3-hydroxycyclohexane?
The IUPAC name of 1-[(dipropylsulfamoylamino)methyl]-3-hydroxycyclohexane (CID 103835757) is 1-[(dipropylsulfamoylamino)methyl]-3-hydroxycyclohexane.
What is the SMILES notation for 1-[(dipropylsulfamoylamino)methyl]-3-hydroxycyclohexane?
The canonical SMILES for 1-[(dipropylsulfamoylamino)methyl]-3-hydroxycyclohexane is CCCN(CCC)S(=O)(=O)NCC1CCCC(O)C1.
What is the InChIKey of 1-[(dipropylsulfamoylamino)methyl]-3-hydroxycyclohexane?
The InChIKey is TYRKCSAEFZYCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3S/c1-3-8-15(9-4-2)19(17,18)14-11-12-6-5-7-13(16)10-12/h12-14,16H,3-11H2,1-2H3.
What are the key properties of 1-[(dipropylsulfamoylamino)methyl]-3-hydroxycyclohexane?
1-[(dipropylsulfamoylamino)methyl]-3-hydroxycyclohexane has a molecular weight of 292.44 g/mol, XLogP of 1.49, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(dipropylsulfamoylamino)methyl]-3-hydroxycyclohexane is sourced from PubChem (CID 103835757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).