N-propan-2-yl-2-[2-propyl-2-(sulfanylmethyl)pentyl]sulfanylacetamide

C14H29NOS2 — CID 114235084

IUPACN-propan-2-yl-2-[2-propyl-2-(sulfanylmethyl)pentyl]sulfanylacetamide
SMILESCCCC(CS)(CCC)CSCC(=O)NC(C)C
InChIInChI=1S/C14H29NOS2/c1-5-7-14(10-17,8-6-2)11-18-9-13(16)15-12(3)4/h12,17H,5-11H2,1-4H3,(H,15,16)
InChIKeyPCAVJZAVTRUGJX-UHFFFAOYSA-N
MW291.53 g/mol
LogP3.76
Rot. Bonds10

About N-propan-2-yl-2-[2-propyl-2-(sulfanylmethyl)pentyl]sulfanylacetamide

N-propan-2-yl-2-[2-propyl-2-(sulfanylmethyl)pentyl]sulfanylacetamide (PubChem CID 114235084) has the molecular formula C14H29NOS2 and a molecular weight of 291.53 g/mol. Its IUPAC name is N-propan-2-yl-2-[2-propyl-2-(sulfanylmethyl)pentyl]sulfanylacetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[2-propyl-2-(sulfanylmethyl)pentyl]sulfanylacetamide
PubChem CID114235084
Molecular FormulaC14H29NOS2
Molecular Weight291.53 g/mol
Exact Mass291.17
IUPAC NameN-propan-2-yl-2-[2-propyl-2-(sulfanylmethyl)pentyl]sulfanylacetamide
SMILESCCCC(CS)(CCC)CSCC(=O)NC(C)C
InChIInChI=1S/C14H29NOS2/c1-5-7-14(10-17,8-6-2)11-18-9-13(16)15-12(3)4/h12,17H,5-11H2,1-4H3,(H,15,16)
InChIKeyPCAVJZAVTRUGJX-UHFFFAOYSA-N
XLogP3.76
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.53
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-2-(propan-2-ylamino)propanamide
CID 114234454
2-tert-butylsulfanyl-N-propan-2-ylacetamide
CID 126656909
S-[2-oxo-2-(propan-2-ylamino)ethyl] ethanethioate
CID 58731472
N-propan-2-ylpropanamide;dihydrochloride
CID 172679019
4-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-2-(propylamino)butanoic acid
CID 114234463
ethane;N-propan-2-ylbutanamide
CID 169175258
(2R)-2-acetamido-3-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylpropanoic acid
CID 107774480
N-propan-2-yl-2-(propylamino)acetamide
CID 28586282
2-[(4-methoxyphenyl)methylsulfanyl]-N-propan-2-ylacetamide
CID 53279539
4-(2,2-dimethylpentoxy)-3,3-dimethyl-N-propan-2-ylbutanamide
CID 178168451
2-(2-ethylsulfanylethylamino)-N-propan-2-ylacetamide
CID 104668411
(2S)-2-[(2-butylsulfanylacetyl)amino]propanoic acid
CID 61131561

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[2-propyl-2-(sulfanylmethyl)pentyl]sulfanylacetamide?
The IUPAC name of N-propan-2-yl-2-[2-propyl-2-(sulfanylmethyl)pentyl]sulfanylacetamide (CID 114235084) is N-propan-2-yl-2-[2-propyl-2-(sulfanylmethyl)pentyl]sulfanylacetamide.
What is the SMILES notation for N-propan-2-yl-2-[2-propyl-2-(sulfanylmethyl)pentyl]sulfanylacetamide?
The canonical SMILES for N-propan-2-yl-2-[2-propyl-2-(sulfanylmethyl)pentyl]sulfanylacetamide is CCCC(CS)(CCC)CSCC(=O)NC(C)C.
What is the InChIKey of N-propan-2-yl-2-[2-propyl-2-(sulfanylmethyl)pentyl]sulfanylacetamide?
The InChIKey is PCAVJZAVTRUGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NOS2/c1-5-7-14(10-17,8-6-2)11-18-9-13(16)15-12(3)4/h12,17H,5-11H2,1-4H3,(H,15,16).
What are the key properties of N-propan-2-yl-2-[2-propyl-2-(sulfanylmethyl)pentyl]sulfanylacetamide?
N-propan-2-yl-2-[2-propyl-2-(sulfanylmethyl)pentyl]sulfanylacetamide has a molecular weight of 291.53 g/mol, XLogP of 3.76, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[2-propyl-2-(sulfanylmethyl)pentyl]sulfanylacetamide is sourced from PubChem (CID 114235084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).