N-[(2R)-1-(3-butoxy-2-hydroxypropyl)sulfanylpropan-2-yl]acetamide

C12H25NO3S — CID 90754488

IUPACN-[(2R)-1-(3-butoxy-2-hydroxypropyl)sulfanylpropan-2-yl]acetamide
SMILESCCCCOCC(O)CSC[C@@H](C)NC(C)=O
InChIInChI=1S/C12H25NO3S/c1-4-5-6-16-7-12(15)9-17-8-10(2)13-11(3)14/h10,12,15H,4-9H2,1-3H3,(H,13,14)/t10-,12?/m1/s1
InChIKeyLNUJDZSZKDEJQU-RWANSRKNSA-N
MW263.40 g/mol
LogP1.42
Rot. Bonds10

About N-[(2R)-1-(3-butoxy-2-hydroxypropyl)sulfanylpropan-2-yl]acetamide

N-[(2R)-1-(3-butoxy-2-hydroxypropyl)sulfanylpropan-2-yl]acetamide (PubChem CID 90754488) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is N-[(2R)-1-(3-butoxy-2-hydroxypropyl)sulfanylpropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-1-(3-butoxy-2-hydroxypropyl)sulfanylpropan-2-yl]acetamide
PubChem CID90754488
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC NameN-[(2R)-1-(3-butoxy-2-hydroxypropyl)sulfanylpropan-2-yl]acetamide
SMILESCCCCOCC(O)CSC[C@@H](C)NC(C)=O
InChIInChI=1S/C12H25NO3S/c1-4-5-6-16-7-12(15)9-17-8-10(2)13-11(3)14/h10,12,15H,4-9H2,1-3H3,(H,13,14)/t10-,12?/m1/s1
InChIKeyLNUJDZSZKDEJQU-RWANSRKNSA-N
XLogP1.42
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminopropylsulfanyl)-3-butoxypropan-2-ol
CID 107263348
1-decoxy-3-(3-decoxy-2-hydroxypropyl)sulfanylpropan-2-ol
CID 22141570
1-butoxy-3-pentylsulfanylpropan-2-ol
CID 107266532
N-(3-butoxy-2-hydroxypropyl)acetamide
CID 45119319
1-butoxy-3-(3-methoxypropylsulfanyl)propan-2-ol
CID 107264118
N-[4-(3-butoxy-2-hydroxypropyl)sulfanylphenyl]acetamide
CID 107264071
1-octoxy-3-octylsulfanylpropan-2-ol
CID 21423987
1-butoxy-3-(cyclopentylmethylsulfanyl)propan-2-ol
CID 107264112
1-(2-hydroxyethylsulfanyl)-3-octadecoxypropan-2-ol
CID 19901104
3-[bis(3-butoxy-2-hydroxypropyl)amino]butan-2-one
CID 89130690
(2R)-1-butoxybutan-2-ol
CID 27255938
(2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol
CID 92518845

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(3-butoxy-2-hydroxypropyl)sulfanylpropan-2-yl]acetamide?
The IUPAC name of N-[(2R)-1-(3-butoxy-2-hydroxypropyl)sulfanylpropan-2-yl]acetamide (CID 90754488) is N-[(2R)-1-(3-butoxy-2-hydroxypropyl)sulfanylpropan-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-1-(3-butoxy-2-hydroxypropyl)sulfanylpropan-2-yl]acetamide?
The canonical SMILES for N-[(2R)-1-(3-butoxy-2-hydroxypropyl)sulfanylpropan-2-yl]acetamide is CCCCOCC(O)CSC[C@@H](C)NC(C)=O.
What is the InChIKey of N-[(2R)-1-(3-butoxy-2-hydroxypropyl)sulfanylpropan-2-yl]acetamide?
The InChIKey is LNUJDZSZKDEJQU-RWANSRKNSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-4-5-6-16-7-12(15)9-17-8-10(2)13-11(3)14/h10,12,15H,4-9H2,1-3H3,(H,13,14)/t10-,12?/m1/s1.
What are the key properties of N-[(2R)-1-(3-butoxy-2-hydroxypropyl)sulfanylpropan-2-yl]acetamide?
N-[(2R)-1-(3-butoxy-2-hydroxypropyl)sulfanylpropan-2-yl]acetamide has a molecular weight of 263.40 g/mol, XLogP of 1.42, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(3-butoxy-2-hydroxypropyl)sulfanylpropan-2-yl]acetamide is sourced from PubChem (CID 90754488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).