N-tert-butyl-N-[2-[cyclopropyl(3,3-dimethylbutan-2-yl)amino]ethyl]methanesulfonamide

C16H34N2O2S — CID 70799425

IUPACN-tert-butyl-N-[2-[cyclopropyl(3,3-dimethylbutan-2-yl)amino]ethyl]methanesulfonamide
SMILESCC(N(CCN(C(C)(C)C)S(C)(=O)=O)C1CC1)C(C)(C)C
InChIInChI=1S/C16H34N2O2S/c1-13(15(2,3)4)17(14-9-10-14)11-12-18(16(5,6)7)21(8,19)20/h13-14H,9-12H2,1-8H3
InChIKeyZBOWTLMWUXQDEV-UHFFFAOYSA-N
MW318.53 g/mol
LogP2.95
Rot. Bonds6

About N-tert-butyl-N-[2-[cyclopropyl(3,3-dimethylbutan-2-yl)amino]ethyl]methanesulfonamide

N-tert-butyl-N-[2-[cyclopropyl(3,3-dimethylbutan-2-yl)amino]ethyl]methanesulfonamide (PubChem CID 70799425) has the molecular formula C16H34N2O2S and a molecular weight of 318.53 g/mol. Its IUPAC name is N-tert-butyl-N-[2-[cyclopropyl(3,3-dimethylbutan-2-yl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-N-[2-[cyclopropyl(3,3-dimethylbutan-2-yl)amino]ethyl]methanesulfonamide
PubChem CID70799425
Molecular FormulaC16H34N2O2S
Molecular Weight318.53 g/mol
Exact Mass318.23
IUPAC NameN-tert-butyl-N-[2-[cyclopropyl(3,3-dimethylbutan-2-yl)amino]ethyl]methanesulfonamide
SMILESCC(N(CCN(C(C)(C)C)S(C)(=O)=O)C1CC1)C(C)(C)C
InChIInChI=1S/C16H34N2O2S/c1-13(15(2,3)4)17(14-9-10-14)11-12-18(16(5,6)7)21(8,19)20/h13-14H,9-12H2,1-8H3
InChIKeyZBOWTLMWUXQDEV-UHFFFAOYSA-N
XLogP2.95
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.53
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-N-[2-[cyclopropyl(3,3-dimethylbutan-2-yl)amino]ethyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[2-[cyclopropyl(3,3-dimethylbutan-2-yl)amino]ethyl]methanesulfonamide?
The IUPAC name of N-tert-butyl-N-[2-[cyclopropyl(3,3-dimethylbutan-2-yl)amino]ethyl]methanesulfonamide (CID 70799425) is N-tert-butyl-N-[2-[cyclopropyl(3,3-dimethylbutan-2-yl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-tert-butyl-N-[2-[cyclopropyl(3,3-dimethylbutan-2-yl)amino]ethyl]methanesulfonamide?
The canonical SMILES for N-tert-butyl-N-[2-[cyclopropyl(3,3-dimethylbutan-2-yl)amino]ethyl]methanesulfonamide is CC(N(CCN(C(C)(C)C)S(C)(=O)=O)C1CC1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-[2-[cyclopropyl(3,3-dimethylbutan-2-yl)amino]ethyl]methanesulfonamide?
The InChIKey is ZBOWTLMWUXQDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2S/c1-13(15(2,3)4)17(14-9-10-14)11-12-18(16(5,6)7)21(8,19)20/h13-14H,9-12H2,1-8H3.
What are the key properties of N-tert-butyl-N-[2-[cyclopropyl(3,3-dimethylbutan-2-yl)amino]ethyl]methanesulfonamide?
N-tert-butyl-N-[2-[cyclopropyl(3,3-dimethylbutan-2-yl)amino]ethyl]methanesulfonamide has a molecular weight of 318.53 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[2-[cyclopropyl(3,3-dimethylbutan-2-yl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 70799425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).