N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

C10H19NO4S — CID 107854816

IUPACN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESO=C(CC1(CS)CC1)NC(CO)(CO)CO
InChIInChI=1S/C10H19NO4S/c12-4-10(5-13,6-14)11-8(15)3-9(7-16)1-2-9/h12-14,16H,1-7H2,(H,11,15)
InChIKeyUHCKAPUFROWXPQ-UHFFFAOYSA-N
MW249.33 g/mol
LogP-1.08
Rot. Bonds7

About N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (PubChem CID 107854816) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.

Molecular Properties

Compound NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
PubChem CID107854816
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESO=C(CC1(CS)CC1)NC(CO)(CO)CO
InChIInChI=1S/C10H19NO4S/c12-4-10(5-13,6-14)11-8(15)3-9(7-16)1-2-9/h12-14,16H,1-7H2,(H,11,15)
InChIKeyUHCKAPUFROWXPQ-UHFFFAOYSA-N
XLogP-1.08
TPSA89.79 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 5-1.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-[1-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 107846666
2-[1-(sulfanylmethyl)cyclopropyl]-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 107026915
N-(3,3-dimethylbutyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107035900
N-(2-methylsulfanylethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107030280
N-butan-2-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107019490
N-(3-methyloxolan-3-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107035447
N-methyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide
CID 107027283
N-but-3-ynyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107030418
N-(5-methylhexan-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107030242
2-[1-(sulfanylmethyl)cyclopropyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 107020407
N-hexyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107030496
N-(4-bromophenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107021050

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (CID 107854816) is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.
What is the SMILES notation for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The canonical SMILES for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is O=C(CC1(CS)CC1)NC(CO)(CO)CO.
What is the InChIKey of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The InChIKey is UHCKAPUFROWXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c12-4-10(5-13,6-14)11-8(15)3-9(7-16)1-2-9/h12-14,16H,1-7H2,(H,11,15).
What are the key properties of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide has a molecular weight of 249.33 g/mol, XLogP of -1.08, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is sourced from PubChem (CID 107854816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).