N-(6-methylheptan-2-yl)-2-sulfanylpropanamide

C11H23NOS — CID 107025134

IUPACN-(6-methylheptan-2-yl)-2-sulfanylpropanamide
SMILESCC(C)CCCC(C)NC(=O)C(C)S
InChIInChI=1S/C11H23NOS/c1-8(2)6-5-7-9(3)12-11(13)10(4)14/h8-10,14H,5-7H2,1-4H3,(H,12,13)
InChIKeyVNNKWIDEYZPLRK-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.64
Rot. Bonds6

About N-(6-methylheptan-2-yl)-2-sulfanylpropanamide

N-(6-methylheptan-2-yl)-2-sulfanylpropanamide (PubChem CID 107025134) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is N-(6-methylheptan-2-yl)-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-(6-methylheptan-2-yl)-2-sulfanylpropanamide
PubChem CID107025134
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC NameN-(6-methylheptan-2-yl)-2-sulfanylpropanamide
SMILESCC(C)CCCC(C)NC(=O)C(C)S
InChIInChI=1S/C11H23NOS/c1-8(2)6-5-7-9(3)12-11(13)10(4)14/h8-10,14H,5-7H2,1-4H3,(H,12,13)
InChIKeyVNNKWIDEYZPLRK-UHFFFAOYSA-N
XLogP2.64
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-chloro-N-[(2S)-6-methylheptan-2-yl]propanamide
CID 92660565
N-[5-(diethylamino)pentan-2-yl]-2-sulfanylpropanamide
CID 107020634
N-butan-2-yl-2-(6-methylheptan-2-ylamino)propanamide
CID 60719517
3-(6-methylheptan-2-ylamino)-3-oxopropanoic acid
CID 62229876
2-amino-N-(6-methylheptan-2-yl)acetamide
CID 60718868
3-amino-2-methoxy-N-(6-methylheptan-2-yl)propanamide
CID 106112569
2-amino-4,4-difluoro-N-(6-methylheptan-2-yl)butanamide
CID 167758669
(2S)-2-amino-N-(6-methylheptan-2-yl)-4-methylsulfanylbutanamide
CID 61253857
2,2,2-trifluoro-N-(6-methylheptan-2-yl)acetamide
CID 11564832
1-ethyl-3-[(2R)-6-methylheptan-2-yl]urea
CID 94702761
N-(6-methylheptan-2-yl)butanamide
CID 60644759
(2S)-2-amino-N-(6-methylheptan-2-yl)-4-methylsulfanylbutanamide;hydrochloride
CID 119262982

Frequently Asked Questions

What is the IUPAC name of N-(6-methylheptan-2-yl)-2-sulfanylpropanamide?
The IUPAC name of N-(6-methylheptan-2-yl)-2-sulfanylpropanamide (CID 107025134) is N-(6-methylheptan-2-yl)-2-sulfanylpropanamide.
What is the SMILES notation for N-(6-methylheptan-2-yl)-2-sulfanylpropanamide?
The canonical SMILES for N-(6-methylheptan-2-yl)-2-sulfanylpropanamide is CC(C)CCCC(C)NC(=O)C(C)S.
What is the InChIKey of N-(6-methylheptan-2-yl)-2-sulfanylpropanamide?
The InChIKey is VNNKWIDEYZPLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-8(2)6-5-7-9(3)12-11(13)10(4)14/h8-10,14H,5-7H2,1-4H3,(H,12,13).
What are the key properties of N-(6-methylheptan-2-yl)-2-sulfanylpropanamide?
N-(6-methylheptan-2-yl)-2-sulfanylpropanamide has a molecular weight of 217.38 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylheptan-2-yl)-2-sulfanylpropanamide is sourced from PubChem (CID 107025134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).