propan-2-yl N-[1-[2-(propanoylamino)propylsulfanyl]ethyl]carbamate

C12H24N2O3S — CID 175618802

IUPACpropan-2-yl N-[1-[2-(propanoylamino)propylsulfanyl]ethyl]carbamate
SMILESCCC(=O)NC(C)CSC(C)NC(=O)OC(C)C
InChIInChI=1S/C12H24N2O3S/c1-6-11(15)13-9(4)7-18-10(5)14-12(16)17-8(2)3/h8-10H,6-7H2,1-5H3,(H,13,15)(H,14,16)
InChIKeyIMFNRSSPNCLRMP-UHFFFAOYSA-N
MW276.40 g/mol
LogP2.11
Rot. Bonds7

About propan-2-yl N-[1-[2-(propanoylamino)propylsulfanyl]ethyl]carbamate

propan-2-yl N-[1-[2-(propanoylamino)propylsulfanyl]ethyl]carbamate (PubChem CID 175618802) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is propan-2-yl N-[1-[2-(propanoylamino)propylsulfanyl]ethyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[1-[2-(propanoylamino)propylsulfanyl]ethyl]carbamate
PubChem CID175618802
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Namepropan-2-yl N-[1-[2-(propanoylamino)propylsulfanyl]ethyl]carbamate
SMILESCCC(=O)NC(C)CSC(C)NC(=O)OC(C)C
InChIInChI=1S/C12H24N2O3S/c1-6-11(15)13-9(4)7-18-10(5)14-12(16)17-8(2)3/h8-10H,6-7H2,1-5H3,(H,13,15)(H,14,16)
InChIKeyIMFNRSSPNCLRMP-UHFFFAOYSA-N
XLogP2.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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1-O-[(2S)-2-(propanoylamino)propyl] 4-O-propan-2-yl (E)-but-2-enedioate
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ethyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate
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N-[(2R)-3-methylpentan-2-yl]propanamide
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N-dodecan-2-ylpropanamide
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N-pent-4-yn-2-ylpropanamide
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N-[2-(propanoylamino)propyl]propanamide
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3-[(propan-2-yloxycarbonylamino)methyl]pentanoic acid
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N-propan-2-ylpropanamide;dihydrochloride
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CID 76934536

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[1-[2-(propanoylamino)propylsulfanyl]ethyl]carbamate?
The IUPAC name of propan-2-yl N-[1-[2-(propanoylamino)propylsulfanyl]ethyl]carbamate (CID 175618802) is propan-2-yl N-[1-[2-(propanoylamino)propylsulfanyl]ethyl]carbamate.
What is the SMILES notation for propan-2-yl N-[1-[2-(propanoylamino)propylsulfanyl]ethyl]carbamate?
The canonical SMILES for propan-2-yl N-[1-[2-(propanoylamino)propylsulfanyl]ethyl]carbamate is CCC(=O)NC(C)CSC(C)NC(=O)OC(C)C.
What is the InChIKey of propan-2-yl N-[1-[2-(propanoylamino)propylsulfanyl]ethyl]carbamate?
The InChIKey is IMFNRSSPNCLRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-6-11(15)13-9(4)7-18-10(5)14-12(16)17-8(2)3/h8-10H,6-7H2,1-5H3,(H,13,15)(H,14,16).
What are the key properties of propan-2-yl N-[1-[2-(propanoylamino)propylsulfanyl]ethyl]carbamate?
propan-2-yl N-[1-[2-(propanoylamino)propylsulfanyl]ethyl]carbamate has a molecular weight of 276.40 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[1-[2-(propanoylamino)propylsulfanyl]ethyl]carbamate is sourced from PubChem (CID 175618802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).