N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-3-methylbutanamide

C15H30N2O3S — CID 113068123

IUPACN-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCCN(C1CCCCCC1)S(C)(=O)=O
InChIInChI=1S/C15H30N2O3S/c1-13(2)12-15(18)16-10-11-17(21(3,19)20)14-8-6-4-5-7-9-14/h13-14H,4-12H2,1-3H3,(H,16,18)
InChIKeyOBCBEYCRGZWSKZ-UHFFFAOYSA-N
MW318.48 g/mol
LogP2.13
Rot. Bonds7

About N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-3-methylbutanamide

N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-3-methylbutanamide (PubChem CID 113068123) has the molecular formula C15H30N2O3S and a molecular weight of 318.48 g/mol. Its IUPAC name is N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-3-methylbutanamide
PubChem CID113068123
Molecular FormulaC15H30N2O3S
Molecular Weight318.48 g/mol
Exact Mass318.20
IUPAC NameN-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCCN(C1CCCCCC1)S(C)(=O)=O
InChIInChI=1S/C15H30N2O3S/c1-13(2)12-15(18)16-10-11-17(21(3,19)20)14-8-6-4-5-7-9-14/h13-14H,4-12H2,1-3H3,(H,16,18)
InChIKeyOBCBEYCRGZWSKZ-UHFFFAOYSA-N
XLogP2.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.48
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]-3-propan-2-ylurea
CID 113065754
N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]pentanamide
CID 113068122
N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-2-ethylbutanamide
CID 113068127
N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]cyclohexanecarboxamide
CID 113068124
N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]cyclopropanecarboxamide
CID 113065794
N-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]cyclohexanecarboxamide
CID 113065694
1-cyclohexyl-3-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]urea
CID 113065748
N-butyl-3-[cyclohexyl(methylsulfonyl)amino]propanamide
CID 113137366
2-(4-chlorophenyl)-N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]acetamide
CID 113068149
3-[cycloheptyl(methylsulfonyl)amino]-N-pentylpropanamide
CID 113141017
1-cyclohexyl-3-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]urea
CID 113065144
N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-2-(2-fluorophenyl)acetamide
CID 113068164

Frequently Asked Questions

What is the IUPAC name of N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-3-methylbutanamide?
The IUPAC name of N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-3-methylbutanamide (CID 113068123) is N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-3-methylbutanamide?
The canonical SMILES for N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-3-methylbutanamide is CC(C)CC(=O)NCCN(C1CCCCCC1)S(C)(=O)=O.
What is the InChIKey of N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-3-methylbutanamide?
The InChIKey is OBCBEYCRGZWSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3S/c1-13(2)12-15(18)16-10-11-17(21(3,19)20)14-8-6-4-5-7-9-14/h13-14H,4-12H2,1-3H3,(H,16,18).
What are the key properties of N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-3-methylbutanamide?
N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-3-methylbutanamide has a molecular weight of 318.48 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-3-methylbutanamide is sourced from PubChem (CID 113068123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).