(3R)-4-(dimethylamino)-N-propan-2-yl-3-sulfanylbutanamide

C9H20N2OS — CID 42627503

IUPAC(3R)-4-(dimethylamino)-N-propan-2-yl-3-sulfanylbutanamide
SMILESCC(C)NC(=O)C[C@@H](S)CN(C)C
InChIInChI=1S/C9H20N2OS/c1-7(2)10-9(12)5-8(13)6-11(3)4/h7-8,13H,5-6H2,1-4H3,(H,10,12)/t8-/m1/s1
InChIKeyMYCGSMYKSYGVAT-MRVPVSSYSA-N
MW204.34 g/mol
LogP0.76
Rot. Bonds5

About (3R)-4-(dimethylamino)-N-propan-2-yl-3-sulfanylbutanamide

(3R)-4-(dimethylamino)-N-propan-2-yl-3-sulfanylbutanamide (PubChem CID 42627503) has the molecular formula C9H20N2OS and a molecular weight of 204.34 g/mol. Its IUPAC name is (3R)-4-(dimethylamino)-N-propan-2-yl-3-sulfanylbutanamide.

Molecular Properties

Compound Name(3R)-4-(dimethylamino)-N-propan-2-yl-3-sulfanylbutanamide
PubChem CID42627503
Molecular FormulaC9H20N2OS
Molecular Weight204.34 g/mol
Exact Mass204.13
IUPAC Name(3R)-4-(dimethylamino)-N-propan-2-yl-3-sulfanylbutanamide
SMILESCC(C)NC(=O)C[C@@H](S)CN(C)C
InChIInChI=1S/C9H20N2OS/c1-7(2)10-9(12)5-8(13)6-11(3)4/h7-8,13H,5-6H2,1-4H3,(H,10,12)/t8-/m1/s1
InChIKeyMYCGSMYKSYGVAT-MRVPVSSYSA-N
XLogP0.76
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-(dimethylamino)-N-propan-2-yl-3-sulfanylbutanamide?
The IUPAC name of (3R)-4-(dimethylamino)-N-propan-2-yl-3-sulfanylbutanamide (CID 42627503) is (3R)-4-(dimethylamino)-N-propan-2-yl-3-sulfanylbutanamide.
What is the SMILES notation for (3R)-4-(dimethylamino)-N-propan-2-yl-3-sulfanylbutanamide?
The canonical SMILES for (3R)-4-(dimethylamino)-N-propan-2-yl-3-sulfanylbutanamide is CC(C)NC(=O)C[C@@H](S)CN(C)C.
What is the InChIKey of (3R)-4-(dimethylamino)-N-propan-2-yl-3-sulfanylbutanamide?
The InChIKey is MYCGSMYKSYGVAT-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H20N2OS/c1-7(2)10-9(12)5-8(13)6-11(3)4/h7-8,13H,5-6H2,1-4H3,(H,10,12)/t8-/m1/s1.
What are the key properties of (3R)-4-(dimethylamino)-N-propan-2-yl-3-sulfanylbutanamide?
(3R)-4-(dimethylamino)-N-propan-2-yl-3-sulfanylbutanamide has a molecular weight of 204.34 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(dimethylamino)-N-propan-2-yl-3-sulfanylbutanamide is sourced from PubChem (CID 42627503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).