2-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]sulfanylacetamide;hydrochloride

C10H22ClN3O2S — CID 119668001

IUPAC2-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]sulfanylacetamide;hydrochloride
SMILESCCCCC(CN)NC(=O)CSCC(N)=O.Cl
InChIInChI=1S/C10H21N3O2S.ClH/c1-2-3-4-8(5-11)13-10(15)7-16-6-9(12)14;/h8H,2-7,11H2,1H3,(H2,12,14)(H,13,15);1H
InChIKeyNDYHHTVKSOCOQU-UHFFFAOYSA-N
MW283.82 g/mol
LogP0.26
Rot. Bonds9

About 2-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]sulfanylacetamide;hydrochloride

2-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]sulfanylacetamide;hydrochloride (PubChem CID 119668001) has the molecular formula C10H22ClN3O2S and a molecular weight of 283.82 g/mol. Its IUPAC name is 2-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]sulfanylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]sulfanylacetamide;hydrochloride
PubChem CID119668001
Molecular FormulaC10H22ClN3O2S
Molecular Weight283.82 g/mol
Exact Mass283.11
IUPAC Name2-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]sulfanylacetamide;hydrochloride
SMILESCCCCC(CN)NC(=O)CSCC(N)=O.Cl
InChIInChI=1S/C10H21N3O2S.ClH/c1-2-3-4-8(5-11)13-10(15)7-16-6-9(12)14;/h8H,2-7,11H2,1H3,(H2,12,14)(H,13,15);1H
InChIKeyNDYHHTVKSOCOQU-UHFFFAOYSA-N
XLogP0.26
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminohexan-2-yl)-2-(3-methylbutylsulfanyl)acetamide;hydrochloride
CID 119667683
N'-(1-aminohexan-2-yl)-N-ethylpentanediamide;hydrochloride
CID 119668224
N-(1-aminohexan-2-yl)-3-methylpentanamide
CID 114875681
N-(1-aminohexan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603533
N-(1-aminohexan-2-yl)-2-(2-methoxyethoxy)acetamide;hydrochloride
CID 119667872
N-(1-aminohexan-2-yl)-2-(cyclopropylmethylamino)acetamide
CID 122080965
N-(1-aminohexan-2-yl)-3-propoxypropanamide
CID 80697621
N-(1-aminohexan-2-yl)-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide;hydrochloride
CID 119668260
3-(1-aminohexan-2-yl)-1,1-dimethylurea
CID 80697976
N-(1-aminohexan-2-yl)-3-methoxy-3-methylbutanamide
CID 103021601
N-[(2S)-1-aminohexan-2-yl]-2,3-dimethylbutanamide
CID 171627931
N-(1-aminohexan-2-yl)-2-butylsulfanylpropanamide
CID 119666195

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]sulfanylacetamide;hydrochloride?
The IUPAC name of 2-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]sulfanylacetamide;hydrochloride (CID 119668001) is 2-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]sulfanylacetamide;hydrochloride.
What is the SMILES notation for 2-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]sulfanylacetamide;hydrochloride?
The canonical SMILES for 2-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]sulfanylacetamide;hydrochloride is CCCCC(CN)NC(=O)CSCC(N)=O.Cl.
What is the InChIKey of 2-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]sulfanylacetamide;hydrochloride?
The InChIKey is NDYHHTVKSOCOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S.ClH/c1-2-3-4-8(5-11)13-10(15)7-16-6-9(12)14;/h8H,2-7,11H2,1H3,(H2,12,14)(H,13,15);1H.
What are the key properties of 2-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]sulfanylacetamide;hydrochloride?
2-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]sulfanylacetamide;hydrochloride has a molecular weight of 283.82 g/mol, XLogP of 0.26, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]sulfanylacetamide;hydrochloride is sourced from PubChem (CID 119668001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).