propan-2-yl N-[[1-(aminomethyl)-4-methylcyclohexyl]sulfamoyl]carbamate

C12H25N3O4S — CID 114461120

IUPACpropan-2-yl N-[[1-(aminomethyl)-4-methylcyclohexyl]sulfamoyl]carbamate
SMILESCC1CCC(CN)(NS(=O)(=O)NC(=O)OC(C)C)CC1
InChIInChI=1S/C12H25N3O4S/c1-9(2)19-11(16)14-20(17,18)15-12(8-13)6-4-10(3)5-7-12/h9-10,15H,4-8,13H2,1-3H3,(H,14,16)
InChIKeyDAPTVWXAPKVLET-UHFFFAOYSA-N
MW307.42 g/mol
LogP0.86
Rot. Bonds5

About propan-2-yl N-[[1-(aminomethyl)-4-methylcyclohexyl]sulfamoyl]carbamate

propan-2-yl N-[[1-(aminomethyl)-4-methylcyclohexyl]sulfamoyl]carbamate (PubChem CID 114461120) has the molecular formula C12H25N3O4S and a molecular weight of 307.42 g/mol. Its IUPAC name is propan-2-yl N-[[1-(aminomethyl)-4-methylcyclohexyl]sulfamoyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[[1-(aminomethyl)-4-methylcyclohexyl]sulfamoyl]carbamate
PubChem CID114461120
Molecular FormulaC12H25N3O4S
Molecular Weight307.42 g/mol
Exact Mass307.16
IUPAC Namepropan-2-yl N-[[1-(aminomethyl)-4-methylcyclohexyl]sulfamoyl]carbamate
SMILESCC1CCC(CN)(NS(=O)(=O)NC(=O)OC(C)C)CC1
InChIInChI=1S/C12H25N3O4S/c1-9(2)19-11(16)14-20(17,18)15-12(8-13)6-4-10(3)5-7-12/h9-10,15H,4-8,13H2,1-3H3,(H,14,16)
InChIKeyDAPTVWXAPKVLET-UHFFFAOYSA-N
XLogP0.86
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[[1-(aminomethyl)-4-methylcyclohexyl]sulfamoyl]carbamate?
The IUPAC name of propan-2-yl N-[[1-(aminomethyl)-4-methylcyclohexyl]sulfamoyl]carbamate (CID 114461120) is propan-2-yl N-[[1-(aminomethyl)-4-methylcyclohexyl]sulfamoyl]carbamate.
What is the SMILES notation for propan-2-yl N-[[1-(aminomethyl)-4-methylcyclohexyl]sulfamoyl]carbamate?
The canonical SMILES for propan-2-yl N-[[1-(aminomethyl)-4-methylcyclohexyl]sulfamoyl]carbamate is CC1CCC(CN)(NS(=O)(=O)NC(=O)OC(C)C)CC1.
What is the InChIKey of propan-2-yl N-[[1-(aminomethyl)-4-methylcyclohexyl]sulfamoyl]carbamate?
The InChIKey is DAPTVWXAPKVLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O4S/c1-9(2)19-11(16)14-20(17,18)15-12(8-13)6-4-10(3)5-7-12/h9-10,15H,4-8,13H2,1-3H3,(H,14,16).
What are the key properties of propan-2-yl N-[[1-(aminomethyl)-4-methylcyclohexyl]sulfamoyl]carbamate?
propan-2-yl N-[[1-(aminomethyl)-4-methylcyclohexyl]sulfamoyl]carbamate has a molecular weight of 307.42 g/mol, XLogP of 0.86, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[[1-(aminomethyl)-4-methylcyclohexyl]sulfamoyl]carbamate is sourced from PubChem (CID 114461120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).