propan-2-yl N-methyl-N-[4-(sulfamoylamino)butyl]carbamate

C9H21N3O4S — CID 142707174

IUPACpropan-2-yl N-methyl-N-[4-(sulfamoylamino)butyl]carbamate
SMILESCC(C)OC(=O)N(C)CCCCNS(N)(=O)=O
InChIInChI=1S/C9H21N3O4S/c1-8(2)16-9(13)12(3)7-5-4-6-11-17(10,14)15/h8,11H,4-7H2,1-3H3,(H2,10,14,15)
InChIKeyVTFZALVESQLIEU-UHFFFAOYSA-N
MW267.35 g/mol
LogP0.04
Rot. Bonds7

About propan-2-yl N-methyl-N-[4-(sulfamoylamino)butyl]carbamate

propan-2-yl N-methyl-N-[4-(sulfamoylamino)butyl]carbamate (PubChem CID 142707174) has the molecular formula C9H21N3O4S and a molecular weight of 267.35 g/mol. Its IUPAC name is propan-2-yl N-methyl-N-[4-(sulfamoylamino)butyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-methyl-N-[4-(sulfamoylamino)butyl]carbamate
PubChem CID142707174
Molecular FormulaC9H21N3O4S
Molecular Weight267.35 g/mol
Exact Mass267.13
IUPAC Namepropan-2-yl N-methyl-N-[4-(sulfamoylamino)butyl]carbamate
SMILESCC(C)OC(=O)N(C)CCCCNS(N)(=O)=O
InChIInChI=1S/C9H21N3O4S/c1-8(2)16-9(13)12(3)7-5-4-6-11-17(10,14)15/h8,11H,4-7H2,1-3H3,(H2,10,14,15)
InChIKeyVTFZALVESQLIEU-UHFFFAOYSA-N
XLogP0.04
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl N-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]carbamate
CID 59502369
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propan-2-yl N-hexyl-N-methylcarbamate
CID 88569732
S-[3-[methyl(propan-2-yloxycarbonyl)amino]propyl] ethanethioate
CID 88875816
N-[4-[methyl(propan-2-yl)amino]butyl]methanesulfonamide
CID 60602606
1-chloro-N-[4-[methyl(propan-2-yl)amino]butyl]methanesulfonamide
CID 63664575
tert-butyl N-methyl-N-[4-(propan-2-ylamino)butyl]carbamate
CID 58244816
4-(sulfamoylamino)butanamide
CID 112684755
azane;1-(sulfamoylamino)pentane
CID 87509026
propan-2-yl N-methyl-N-prop-2-enylcarbamate
CID 116657045
propan-2-yl 2-[3-[methyl(propan-2-yl)amino]propylamino]acetate
CID 106036436
1-(methylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]propane-2-sulfonamide
CID 106052815

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-methyl-N-[4-(sulfamoylamino)butyl]carbamate?
The IUPAC name of propan-2-yl N-methyl-N-[4-(sulfamoylamino)butyl]carbamate (CID 142707174) is propan-2-yl N-methyl-N-[4-(sulfamoylamino)butyl]carbamate.
What is the SMILES notation for propan-2-yl N-methyl-N-[4-(sulfamoylamino)butyl]carbamate?
The canonical SMILES for propan-2-yl N-methyl-N-[4-(sulfamoylamino)butyl]carbamate is CC(C)OC(=O)N(C)CCCCNS(N)(=O)=O.
What is the InChIKey of propan-2-yl N-methyl-N-[4-(sulfamoylamino)butyl]carbamate?
The InChIKey is VTFZALVESQLIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O4S/c1-8(2)16-9(13)12(3)7-5-4-6-11-17(10,14)15/h8,11H,4-7H2,1-3H3,(H2,10,14,15).
What are the key properties of propan-2-yl N-methyl-N-[4-(sulfamoylamino)butyl]carbamate?
propan-2-yl N-methyl-N-[4-(sulfamoylamino)butyl]carbamate has a molecular weight of 267.35 g/mol, XLogP of 0.04, 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-methyl-N-[4-(sulfamoylamino)butyl]carbamate is sourced from PubChem (CID 142707174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).