N-(1-methoxypropan-2-yl)-1-methylsulfonylazetidine-3-carboxamide

C9H18N2O4S — CID 71785461

IUPACN-(1-methoxypropan-2-yl)-1-methylsulfonylazetidine-3-carboxamide
SMILESCOCC(C)NC(=O)C1CN(S(C)(=O)=O)C1
InChIInChI=1S/C9H18N2O4S/c1-7(6-15-2)10-9(12)8-4-11(5-8)16(3,13)14/h7-8H,4-6H2,1-3H3,(H,10,12)
InChIKeyCHOHRZCXAFPVPJ-UHFFFAOYSA-N
MW250.32 g/mol
LogP-0.97
Rot. Bonds5

About N-(1-methoxypropan-2-yl)-1-methylsulfonylazetidine-3-carboxamide

N-(1-methoxypropan-2-yl)-1-methylsulfonylazetidine-3-carboxamide (PubChem CID 71785461) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-1-methylsulfonylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-1-methylsulfonylazetidine-3-carboxamide
PubChem CID71785461
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC NameN-(1-methoxypropan-2-yl)-1-methylsulfonylazetidine-3-carboxamide
SMILESCOCC(C)NC(=O)C1CN(S(C)(=O)=O)C1
InChIInChI=1S/C9H18N2O4S/c1-7(6-15-2)10-9(12)8-4-11(5-8)16(3,13)14/h7-8H,4-6H2,1-3H3,(H,10,12)
InChIKeyCHOHRZCXAFPVPJ-UHFFFAOYSA-N
XLogP-0.97
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-(1-(methylsulfonyl)azetidine-3-carboxamido)acetate
CID 71785462
N-[(S)-2-methoxy-1-methylethyl]-1-mesyl-3-azetidinecarboxamide
CID 95377113
N-(1-methoxypropan-2-yl)azetidine-3-carboxamide
CID 65962346
3-(methanesulfonamido)-N-(2-methoxyethyl)propanamide
CID 47175119
N-[3-[ethyl(methylsulfonyl)amino]propyl]azetidine-3-carboxamide
CID 65964937
N-(2,2-diethoxyethyl)-1-(methylsulfonyl)azetidine-3-carboxamide
CID 71785463
1-(methylsulfonyl)-N-(2-morpholinoethyl)azetidine-3-carboxamide
CID 71785464
2-[2-(1-Methoxypropan-2-ylamino)ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 79886087
2-[4-(2-Methoxyethylamino)butyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 79886435
2-[3-(2-Methoxyethylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 79887224
N,N-bis(2-methoxyethyl)-1-(methylsulfonyl)azetidine-3-carboxamide
CID 90513004
1-(methylsulfonyl)-N-propylazetidine-3-carboxamide
CID 90513047

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-1-methylsulfonylazetidine-3-carboxamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-1-methylsulfonylazetidine-3-carboxamide (CID 71785461) is N-(1-methoxypropan-2-yl)-1-methylsulfonylazetidine-3-carboxamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-1-methylsulfonylazetidine-3-carboxamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-1-methylsulfonylazetidine-3-carboxamide is COCC(C)NC(=O)C1CN(S(C)(=O)=O)C1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-1-methylsulfonylazetidine-3-carboxamide?
The InChIKey is CHOHRZCXAFPVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-7(6-15-2)10-9(12)8-4-11(5-8)16(3,13)14/h7-8H,4-6H2,1-3H3,(H,10,12).
What are the key properties of N-(1-methoxypropan-2-yl)-1-methylsulfonylazetidine-3-carboxamide?
N-(1-methoxypropan-2-yl)-1-methylsulfonylazetidine-3-carboxamide has a molecular weight of 250.32 g/mol, XLogP of -0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-1-methylsulfonylazetidine-3-carboxamide is sourced from PubChem (CID 71785461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).