1-[2-(dimethylsulfamoylamino)ethyl]-3-(2,4,4-trimethylcyclohexyl)urea

C14H30N4O3S — CID 167803517

IUPAC1-[2-(dimethylsulfamoylamino)ethyl]-3-(2,4,4-trimethylcyclohexyl)urea
SMILESCC1CC(C)(C)CCC1NC(=O)NCCNS(=O)(=O)N(C)C
InChIInChI=1S/C14H30N4O3S/c1-11-10-14(2,3)7-6-12(11)17-13(19)15-8-9-16-22(20,21)18(4)5/h11-12,16H,6-10H2,1-5H3,(H2,15,17,19)
InChIKeyFYKPWPQZMUOGNE-UHFFFAOYSA-N
MW334.49 g/mol
LogP0.90
Rot. Bonds6

About 1-[2-(dimethylsulfamoylamino)ethyl]-3-(2,4,4-trimethylcyclohexyl)urea

1-[2-(dimethylsulfamoylamino)ethyl]-3-(2,4,4-trimethylcyclohexyl)urea (PubChem CID 167803517) has the molecular formula C14H30N4O3S and a molecular weight of 334.49 g/mol. Its IUPAC name is 1-[2-(dimethylsulfamoylamino)ethyl]-3-(2,4,4-trimethylcyclohexyl)urea.

Molecular Properties

Compound Name1-[2-(dimethylsulfamoylamino)ethyl]-3-(2,4,4-trimethylcyclohexyl)urea
PubChem CID167803517
Molecular FormulaC14H30N4O3S
Molecular Weight334.49 g/mol
Exact Mass334.20
IUPAC Name1-[2-(dimethylsulfamoylamino)ethyl]-3-(2,4,4-trimethylcyclohexyl)urea
SMILESCC1CC(C)(C)CCC1NC(=O)NCCNS(=O)(=O)N(C)C
InChIInChI=1S/C14H30N4O3S/c1-11-10-14(2,3)7-6-12(11)17-13(19)15-8-9-16-22(20,21)18(4)5/h11-12,16H,6-10H2,1-5H3,(H2,15,17,19)
InChIKeyFYKPWPQZMUOGNE-UHFFFAOYSA-N
XLogP0.90
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-3-[(1S,2S)-2,4,4-trimethylcyclohexyl]urea
CID 96995571
1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-3-(2,4,4-trimethylcyclohexyl)urea
CID 102559288
N-[(1S,2R)-2,4,4-trimethylcyclohexyl]acetamide
CID 162401417
1-(1-hydroxypropan-2-yl)-3-(2,4,4-trimethylcyclohexyl)urea
CID 111751169
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2,4,4-trimethylcyclohexyl)urea
CID 111751180
3-amino-N-(2,4,4-trimethylcyclohexyl)butanamide
CID 119819051
2-[(2,4,4-trimethylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 119187245
(2R)-2-amino-N-(2,4,4-trimethylcyclohexyl)propanamide;hydrochloride
CID 119343794
2-[(2,4,4-trimethylcyclohexyl)amino]ethanesulfonamide
CID 81320465
1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[(1R,2R)-2,4,4-trimethylcyclohexyl]urea
CID 124739941
3-amino-N-(2,4,4-trimethylcyclohexyl)butanamide;hydrochloride
CID 119819050
1-[(2-cyano-4-pyridinyl)methyl]-3-(2,4,4-trimethylcyclohexyl)urea
CID 168892618

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylsulfamoylamino)ethyl]-3-(2,4,4-trimethylcyclohexyl)urea?
The IUPAC name of 1-[2-(dimethylsulfamoylamino)ethyl]-3-(2,4,4-trimethylcyclohexyl)urea (CID 167803517) is 1-[2-(dimethylsulfamoylamino)ethyl]-3-(2,4,4-trimethylcyclohexyl)urea.
What is the SMILES notation for 1-[2-(dimethylsulfamoylamino)ethyl]-3-(2,4,4-trimethylcyclohexyl)urea?
The canonical SMILES for 1-[2-(dimethylsulfamoylamino)ethyl]-3-(2,4,4-trimethylcyclohexyl)urea is CC1CC(C)(C)CCC1NC(=O)NCCNS(=O)(=O)N(C)C.
What is the InChIKey of 1-[2-(dimethylsulfamoylamino)ethyl]-3-(2,4,4-trimethylcyclohexyl)urea?
The InChIKey is FYKPWPQZMUOGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O3S/c1-11-10-14(2,3)7-6-12(11)17-13(19)15-8-9-16-22(20,21)18(4)5/h11-12,16H,6-10H2,1-5H3,(H2,15,17,19).
What are the key properties of 1-[2-(dimethylsulfamoylamino)ethyl]-3-(2,4,4-trimethylcyclohexyl)urea?
1-[2-(dimethylsulfamoylamino)ethyl]-3-(2,4,4-trimethylcyclohexyl)urea has a molecular weight of 334.49 g/mol, XLogP of 0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylsulfamoylamino)ethyl]-3-(2,4,4-trimethylcyclohexyl)urea is sourced from PubChem (CID 167803517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).