N,N-bis(2-hydroxyethyl)-3-methylsulfanylpropanamide

C8H17NO3S — CID 61235441

IUPACN,N-bis(2-hydroxyethyl)-3-methylsulfanylpropanamide
SMILESCSCCC(=O)N(CCO)CCO
InChIInChI=1S/C8H17NO3S/c1-13-7-2-8(12)9(3-5-10)4-6-11/h10-11H,2-7H2,1H3
InChIKeyFPZQPDANUNCQER-UHFFFAOYSA-N
MW207.29 g/mol
LogP-0.45
Rot. Bonds7

About N,N-bis(2-hydroxyethyl)-3-methylsulfanylpropanamide

N,N-bis(2-hydroxyethyl)-3-methylsulfanylpropanamide (PubChem CID 61235441) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-3-methylsulfanylpropanamide
PubChem CID61235441
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC NameN,N-bis(2-hydroxyethyl)-3-methylsulfanylpropanamide
SMILESCSCCC(=O)N(CCO)CCO
InChIInChI=1S/C8H17NO3S/c1-13-7-2-8(12)9(3-5-10)4-6-11/h10-11H,2-7H2,1H3
InChIKeyFPZQPDANUNCQER-UHFFFAOYSA-N
XLogP-0.45
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-bis(2-hydroxyethyl)butanamide
CID 14455174
3-(dimethylamino)-N,N-bis(2-hydroxyethyl)propanamide;ethane
CID 168940710
N',N'-bis(2-hydroxyethyl)-N,N-dimethylpentanediamide
CID 169291277
4-chloro-N,N-bis(2-hydroxyethyl)butanamide
CID 63307970
N-(3-hydroxypropyl)-3-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]propanamide
CID 46995462
3-[[3-[bis(3-oxopentyl)amino]-3-oxopropyl]-(4-methylsulfanyl-2-oxobutyl)amino]-N,N-bis(3-oxopentyl)propanamide
CID 167712395
1-aminoethanol;N',N'-bis(2-hydroxyethyl)butanediamide
CID 22555881
N,N-bis(2-hydroxyethyl)-7-methyloctanamide
CID 54230939
2-butylsulfanyl-N,N-bis(2-hydroxyethyl)acetamide
CID 61236004
N,N-dibutyl-3-[3-(dibutylamino)-3-oxopropyl]sulfanylpropanamide
CID 559874
N-(2-hydroxyethyl)-N-[3-[2-hydroxyethyl(propanoyl)amino]propyl]propanamide
CID 20740586
N-(2-hydroxyethyl)-4-methoxy-N-propylbutanamide
CID 112729251

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-3-methylsulfanylpropanamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-3-methylsulfanylpropanamide (CID 61235441) is N,N-bis(2-hydroxyethyl)-3-methylsulfanylpropanamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-3-methylsulfanylpropanamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-3-methylsulfanylpropanamide is CSCCC(=O)N(CCO)CCO.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-3-methylsulfanylpropanamide?
The InChIKey is FPZQPDANUNCQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-13-7-2-8(12)9(3-5-10)4-6-11/h10-11H,2-7H2,1H3.
What are the key properties of N,N-bis(2-hydroxyethyl)-3-methylsulfanylpropanamide?
N,N-bis(2-hydroxyethyl)-3-methylsulfanylpropanamide has a molecular weight of 207.29 g/mol, XLogP of -0.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-3-methylsulfanylpropanamide is sourced from PubChem (CID 61235441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).