[4-(tert-butylamino)cyclohexyl]-(propan-2-ylsulfonylmethyl)carbamic acid

C15H30N2O4S — CID 69285493

IUPAC[4-(tert-butylamino)cyclohexyl]-(propan-2-ylsulfonylmethyl)carbamic acid
SMILESCC(C)S(=O)(=O)CN(C(=O)O)C1CCC(NC(C)(C)C)CC1
InChIInChI=1S/C15H30N2O4S/c1-11(2)22(20,21)10-17(14(18)19)13-8-6-12(7-9-13)16-15(3,4)5/h11-13,16H,6-10H2,1-5H3,(H,18,19)
InChIKeyYLDJSBJKQBXFPK-UHFFFAOYSA-N
MW334.48 g/mol
LogP2.45
Rot. Bonds5

About [4-(tert-butylamino)cyclohexyl]-(propan-2-ylsulfonylmethyl)carbamic acid

[4-(tert-butylamino)cyclohexyl]-(propan-2-ylsulfonylmethyl)carbamic acid (PubChem CID 69285493) has the molecular formula C15H30N2O4S and a molecular weight of 334.48 g/mol. Its IUPAC name is [4-(tert-butylamino)cyclohexyl]-(propan-2-ylsulfonylmethyl)carbamic acid.

Molecular Properties

Compound Name[4-(tert-butylamino)cyclohexyl]-(propan-2-ylsulfonylmethyl)carbamic acid
PubChem CID69285493
Molecular FormulaC15H30N2O4S
Molecular Weight334.48 g/mol
Exact Mass334.19
IUPAC Name[4-(tert-butylamino)cyclohexyl]-(propan-2-ylsulfonylmethyl)carbamic acid
SMILESCC(C)S(=O)(=O)CN(C(=O)O)C1CCC(NC(C)(C)C)CC1
InChIInChI=1S/C15H30N2O4S/c1-11(2)22(20,21)10-17(14(18)19)13-8-6-12(7-9-13)16-15(3,4)5/h11-13,16H,6-10H2,1-5H3,(H,18,19)
InChIKeyYLDJSBJKQBXFPK-UHFFFAOYSA-N
XLogP2.45
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.48
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,4-N-ditert-butylcyclohexane-1,4-diamine
CID 59732223
N-tert-butylcyclopropanamine;hydrochloride
CID 55284152
2-(cyclopropylamino)-4-[cyclopropyl(ethyl)amino]-2-methylpentanoic acid
CID 64728237
N-cyclopropyl-2-propan-2-ylsulfonylacetamide
CID 87023654
4-N-tert-butyl-1-N-propan-2-ylcyclohexane-1,4-diamine
CID 58707400
N-cyclopropyl-N-(3,3-dimethylbutyl)-2-methylpropanamide
CID 153456784
[4-(carbamothioylamino)cyclohexyl]-(2,2-dimethylpropyl)carbamic acid
CID 87782305
2-(cyclopropylamino)-2-methyl-4-methylsulfanylpentanoic acid
CID 64710146
2-(cyclopropylamino)-6-[cyclopropyl(methyl)amino]-2-methylhexan-1-ol
CID 64796135
2-[bis(3,3-dimethyl-2-oxobutyl)amino]-1-[4-(tert-butylamino)cyclohexyl]-4-methylpentan-3-one
CID 134310161
methyl 2-(cyclopropylamino)-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanoate
CID 78977372
1-(cyclopropylamino)-4-propan-2-ylsulfonylbutan-2-ol
CID 106734212

Frequently Asked Questions

What is the IUPAC name of [4-(tert-butylamino)cyclohexyl]-(propan-2-ylsulfonylmethyl)carbamic acid?
The IUPAC name of [4-(tert-butylamino)cyclohexyl]-(propan-2-ylsulfonylmethyl)carbamic acid (CID 69285493) is [4-(tert-butylamino)cyclohexyl]-(propan-2-ylsulfonylmethyl)carbamic acid.
What is the SMILES notation for [4-(tert-butylamino)cyclohexyl]-(propan-2-ylsulfonylmethyl)carbamic acid?
The canonical SMILES for [4-(tert-butylamino)cyclohexyl]-(propan-2-ylsulfonylmethyl)carbamic acid is CC(C)S(=O)(=O)CN(C(=O)O)C1CCC(NC(C)(C)C)CC1.
What is the InChIKey of [4-(tert-butylamino)cyclohexyl]-(propan-2-ylsulfonylmethyl)carbamic acid?
The InChIKey is YLDJSBJKQBXFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O4S/c1-11(2)22(20,21)10-17(14(18)19)13-8-6-12(7-9-13)16-15(3,4)5/h11-13,16H,6-10H2,1-5H3,(H,18,19).
What are the key properties of [4-(tert-butylamino)cyclohexyl]-(propan-2-ylsulfonylmethyl)carbamic acid?
[4-(tert-butylamino)cyclohexyl]-(propan-2-ylsulfonylmethyl)carbamic acid has a molecular weight of 334.48 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(tert-butylamino)cyclohexyl]-(propan-2-ylsulfonylmethyl)carbamic acid is sourced from PubChem (CID 69285493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).