N-cycloheptyl-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide

C16H33N3O3S — CID 113138370

IUPACN-cycloheptyl-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide
SMILESCN(C)CCCN(CCC(=O)NC1CCCCCC1)S(C)(=O)=O
InChIInChI=1S/C16H33N3O3S/c1-18(2)12-8-13-19(23(3,21)22)14-11-16(20)17-15-9-6-4-5-7-10-15/h15H,4-14H2,1-3H3,(H,17,20)
InChIKeyFOGHBLNCDJNNPE-UHFFFAOYSA-N
MW347.53 g/mol
LogP1.43
Rot. Bonds9

About N-cycloheptyl-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide

N-cycloheptyl-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide (PubChem CID 113138370) has the molecular formula C16H33N3O3S and a molecular weight of 347.53 g/mol. Its IUPAC name is N-cycloheptyl-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide.

Molecular Properties

Compound NameN-cycloheptyl-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide
PubChem CID113138370
Molecular FormulaC16H33N3O3S
Molecular Weight347.53 g/mol
Exact Mass347.22
IUPAC NameN-cycloheptyl-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide
SMILESCN(C)CCCN(CCC(=O)NC1CCCCCC1)S(C)(=O)=O
InChIInChI=1S/C16H33N3O3S/c1-18(2)12-8-13-19(23(3,21)22)14-11-16(20)17-15-9-6-4-5-7-10-15/h15H,4-14H2,1-3H3,(H,17,20)
InChIKeyFOGHBLNCDJNNPE-UHFFFAOYSA-N
XLogP1.43
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.53
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-3-[cyclopropyl(methylsulfonyl)amino]propanamide
CID 113136251
N-cyclohexyl-3-[(4-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138969
3-[tert-butyl(methylsulfonyl)amino]-N-cycloheptylpropanamide
CID 113140842
N-cyclopropyl-4-(dimethylamino)butanamide
CID 66617173
3-[tert-butyl(methylsulfonyl)amino]-N-cyclopentylpropanamide
CID 113140775
N-cyclopentyl-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
CID 113140010
N-cyclohexyl-3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]propanamide
CID 113140503
N-cyclopropyl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide
CID 113140689
2-[[3-(cyclohexylamino)-3-oxopropyl]-methylamino]acetic acid
CID 43442622
N-cycloheptyl-2-[cyclopentyl(methylsulfonyl)amino]acetamide
CID 113148899
2-[cyclohexyl(methylsulfonyl)amino]-N-cyclooctylacetamide
CID 2986754
N-cyclopropyl-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide
CID 113138235

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide?
The IUPAC name of N-cycloheptyl-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide (CID 113138370) is N-cycloheptyl-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide.
What is the SMILES notation for N-cycloheptyl-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide?
The canonical SMILES for N-cycloheptyl-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide is CN(C)CCCN(CCC(=O)NC1CCCCCC1)S(C)(=O)=O.
What is the InChIKey of N-cycloheptyl-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide?
The InChIKey is FOGHBLNCDJNNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O3S/c1-18(2)12-8-13-19(23(3,21)22)14-11-16(20)17-15-9-6-4-5-7-10-15/h15H,4-14H2,1-3H3,(H,17,20).
What are the key properties of N-cycloheptyl-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide?
N-cycloheptyl-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide has a molecular weight of 347.53 g/mol, XLogP of 1.43, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide is sourced from PubChem (CID 113138370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).