N-(cyclopropylmethyl)-2-(methanesulfonamido)-N-[(4-methylmorpholin-2-yl)methyl]acetamide

C13H25N3O4S — CID 129002104

IUPACN-(cyclopropylmethyl)-2-(methanesulfonamido)-N-[(4-methylmorpholin-2-yl)methyl]acetamide
SMILESCN1CCOC(CN(CC2CC2)C(=O)CNS(C)(=O)=O)C1
InChIInChI=1S/C13H25N3O4S/c1-15-5-6-20-12(9-15)10-16(8-11-3-4-11)13(17)7-14-21(2,18)19/h11-12,14H,3-10H2,1-2H3
InChIKeyZQTDVCQZHOZBJC-UHFFFAOYSA-N
MW319.43 g/mol
LogP-0.90
Rot. Bonds7

About N-(cyclopropylmethyl)-2-(methanesulfonamido)-N-[(4-methylmorpholin-2-yl)methyl]acetamide

N-(cyclopropylmethyl)-2-(methanesulfonamido)-N-[(4-methylmorpholin-2-yl)methyl]acetamide (PubChem CID 129002104) has the molecular formula C13H25N3O4S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(methanesulfonamido)-N-[(4-methylmorpholin-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(methanesulfonamido)-N-[(4-methylmorpholin-2-yl)methyl]acetamide
PubChem CID129002104
Molecular FormulaC13H25N3O4S
Molecular Weight319.43 g/mol
Exact Mass319.16
IUPAC NameN-(cyclopropylmethyl)-2-(methanesulfonamido)-N-[(4-methylmorpholin-2-yl)methyl]acetamide
SMILESCN1CCOC(CN(CC2CC2)C(=O)CNS(C)(=O)=O)C1
InChIInChI=1S/C13H25N3O4S/c1-15-5-6-20-12(9-15)10-16(8-11-3-4-11)13(17)7-14-21(2,18)19/h11-12,14H,3-10H2,1-2H3
InChIKeyZQTDVCQZHOZBJC-UHFFFAOYSA-N
XLogP-0.90
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-acetamido-N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]acetamide
CID 129342815
3-cyclobutyl-N-(cyclopropylmethyl)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]propanamide
CID 129331809
N-(cyclopropylmethyl)-4,4,4-trifluoro-N-[(4-methylmorpholin-2-yl)methyl]butanamide
CID 129003823
N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-[(3S)-oxolan-3-yl]propanamide
CID 129330348
1-(cyclopropylmethyl)-1-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-(2-pyrrol-1-ylethyl)urea
CID 129476167
(2R)-N-(cyclopropylmethyl)-2-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]-2-phenylacetamide
CID 128970007
1-(cyclopropylmethyl)-3-(furan-3-ylmethyl)-1-[[(2S)-4-methylmorpholin-2-yl]methyl]urea
CID 129478739
N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1H-pyrazole-4-carboxamide
CID 129478448
N-[2-[(4-methylmorpholin-2-yl)methylamino]ethyl]methanesulfonamide
CID 78950380
1-(cyclopropylmethyl)-3-(2-imidazol-1-ylethyl)-1-[(4-methylmorpholin-2-yl)methyl]urea
CID 128997935
N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 129335888
3-[cyclopropylmethyl-[(4-methylmorpholin-2-yl)methyl]carbamoyl]-4-methylbenzoic acid
CID 146141590

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(methanesulfonamido)-N-[(4-methylmorpholin-2-yl)methyl]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(methanesulfonamido)-N-[(4-methylmorpholin-2-yl)methyl]acetamide (CID 129002104) is N-(cyclopropylmethyl)-2-(methanesulfonamido)-N-[(4-methylmorpholin-2-yl)methyl]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(methanesulfonamido)-N-[(4-methylmorpholin-2-yl)methyl]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(methanesulfonamido)-N-[(4-methylmorpholin-2-yl)methyl]acetamide is CN1CCOC(CN(CC2CC2)C(=O)CNS(C)(=O)=O)C1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(methanesulfonamido)-N-[(4-methylmorpholin-2-yl)methyl]acetamide?
The InChIKey is ZQTDVCQZHOZBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4S/c1-15-5-6-20-12(9-15)10-16(8-11-3-4-11)13(17)7-14-21(2,18)19/h11-12,14H,3-10H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-2-(methanesulfonamido)-N-[(4-methylmorpholin-2-yl)methyl]acetamide?
N-(cyclopropylmethyl)-2-(methanesulfonamido)-N-[(4-methylmorpholin-2-yl)methyl]acetamide has a molecular weight of 319.43 g/mol, XLogP of -0.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(methanesulfonamido)-N-[(4-methylmorpholin-2-yl)methyl]acetamide is sourced from PubChem (CID 129002104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).