N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-morpholin-4-ylsulfonylpropanamide

C12H22N2O5S — CID 115455306

IUPACN-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-morpholin-4-ylsulfonylpropanamide
SMILESO=C(CCS(=O)(=O)N1CCOCC1)NCC1(CO)CC1
InChIInChI=1S/C12H22N2O5S/c15-10-12(2-3-12)9-13-11(16)1-8-20(17,18)14-4-6-19-7-5-14/h15H,1-10H2,(H,13,16)
InChIKeyJLWGFWRRXXAMTQ-UHFFFAOYSA-N
MW306.38 g/mol
LogP-1.07
Rot. Bonds7

About N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-morpholin-4-ylsulfonylpropanamide

N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-morpholin-4-ylsulfonylpropanamide (PubChem CID 115455306) has the molecular formula C12H22N2O5S and a molecular weight of 306.38 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-morpholin-4-ylsulfonylpropanamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-morpholin-4-ylsulfonylpropanamide
PubChem CID115455306
Molecular FormulaC12H22N2O5S
Molecular Weight306.38 g/mol
Exact Mass306.12
IUPAC NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-morpholin-4-ylsulfonylpropanamide
SMILESO=C(CCS(=O)(=O)N1CCOCC1)NCC1(CO)CC1
InChIInChI=1S/C12H22N2O5S/c15-10-12(2-3-12)9-13-11(16)1-8-20(17,18)14-4-6-19-7-5-14/h15H,1-10H2,(H,13,16)
InChIKeyJLWGFWRRXXAMTQ-UHFFFAOYSA-N
XLogP-1.07
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(2,3-dihydroxy-2-methylpropyl)-3-morpholin-4-ylsulfonylpropanamide
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2-cyclopropyl-2-(3-morpholin-4-ylsulfonylpropanoylamino)acetic acid
CID 62697248
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-morpholin-4-ylsulfonylbenzamide
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3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
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N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-morpholin-4-ylsulfonylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-morpholin-4-ylsulfonylpropanamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-morpholin-4-ylsulfonylpropanamide (CID 115455306) is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-morpholin-4-ylsulfonylpropanamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-morpholin-4-ylsulfonylpropanamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-morpholin-4-ylsulfonylpropanamide is O=C(CCS(=O)(=O)N1CCOCC1)NCC1(CO)CC1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-morpholin-4-ylsulfonylpropanamide?
The InChIKey is JLWGFWRRXXAMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5S/c15-10-12(2-3-12)9-13-11(16)1-8-20(17,18)14-4-6-19-7-5-14/h15H,1-10H2,(H,13,16).
What are the key properties of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-morpholin-4-ylsulfonylpropanamide?
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-morpholin-4-ylsulfonylpropanamide has a molecular weight of 306.38 g/mol, XLogP of -1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-morpholin-4-ylsulfonylpropanamide is sourced from PubChem (CID 115455306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).