N-cyclopropyl-N-[(2S)-2-sulfanylbutan-2-yl]acetamide

C9H17NOS — CID 139314367

IUPACN-cyclopropyl-N-[(2S)-2-sulfanylbutan-2-yl]acetamide
SMILESCC[C@](C)(S)N(C(C)=O)C1CC1
InChIInChI=1S/C9H17NOS/c1-4-9(3,12)10(7(2)11)8-5-6-8/h8,12H,4-6H2,1-3H3/t9-/m0/s1
InChIKeyXZSPLKXZDTUEAR-VIFPVBQESA-N
MW187.31 g/mol
LogP2.05
Rot. Bonds3

About N-cyclopropyl-N-[(2S)-2-sulfanylbutan-2-yl]acetamide

N-cyclopropyl-N-[(2S)-2-sulfanylbutan-2-yl]acetamide (PubChem CID 139314367) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2S)-2-sulfanylbutan-2-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2S)-2-sulfanylbutan-2-yl]acetamide
PubChem CID139314367
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC NameN-cyclopropyl-N-[(2S)-2-sulfanylbutan-2-yl]acetamide
SMILESCC[C@](C)(S)N(C(C)=O)C1CC1
InChIInChI=1S/C9H17NOS/c1-4-9(3,12)10(7(2)11)8-5-6-8/h8,12H,4-6H2,1-3H3/t9-/m0/s1
InChIKeyXZSPLKXZDTUEAR-VIFPVBQESA-N
XLogP2.05
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2S)-2-sulfanylbutan-2-yl]acetamide?
The IUPAC name of N-cyclopropyl-N-[(2S)-2-sulfanylbutan-2-yl]acetamide (CID 139314367) is N-cyclopropyl-N-[(2S)-2-sulfanylbutan-2-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-[(2S)-2-sulfanylbutan-2-yl]acetamide?
The canonical SMILES for N-cyclopropyl-N-[(2S)-2-sulfanylbutan-2-yl]acetamide is CC[C@](C)(S)N(C(C)=O)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(2S)-2-sulfanylbutan-2-yl]acetamide?
The InChIKey is XZSPLKXZDTUEAR-VIFPVBQESA-N. The full InChI is InChI=1S/C9H17NOS/c1-4-9(3,12)10(7(2)11)8-5-6-8/h8,12H,4-6H2,1-3H3/t9-/m0/s1.
What are the key properties of N-cyclopropyl-N-[(2S)-2-sulfanylbutan-2-yl]acetamide?
N-cyclopropyl-N-[(2S)-2-sulfanylbutan-2-yl]acetamide has a molecular weight of 187.31 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2S)-2-sulfanylbutan-2-yl]acetamide is sourced from PubChem (CID 139314367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).